N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione

C109H125N5O18 — CID 157090448

IUPACN,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione
SMILESCCCC/C(=C/C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.CCCC/C(=C\C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(C)C.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(CC)CC.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCCCC1=O
InChIInChI=1S/C23H25NO4.2C22H25NO4.C22H27NO3.C20H23NO3/c1-3-4-9-16(23(28)24-13-8-7-12-20(24)25)14-19-15(2)21(26)17-10-5-6-11-18(17)22(19)27;2*1-3-4-7-16(22(26)23-10-12-27-13-11-23)14-19-15(2)20(24)17-8-5-6-9-18(17)21(19)25;1-5-8-11-16(22(26)23(6-2)7-3)14-19-15(4)20(24)17-12-9-10-13-18(17)21(19)25;1-5-6-9-14(20(24)21(3)4)12-17-13(2)18(22)15-10-7-8-11-16(15)19(17)23/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3;2*5-6,8-9,14H,3-4,7,10-13H2,1-2H3;9-10,12-14H,5-8,11H2,1-4H3;7-8,10-12H,5-6,9H2,1-4H3/b;16-14+;16-14-;;
InChIKeyAEPHUWUNFODCSP-XNSHGAEOSA-N
MW1793.22 g/mol
LogP18.71
Rot. Bonds27

About N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione

N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione (PubChem CID 157090448) has the molecular formula C109H125N5O18 and a molecular weight of 1793.22 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione
PubChem CID157090448
Molecular FormulaC109H125N5O18
Molecular Weight1793.22 g/mol
Exact Mass1791.90
IUPAC NameN,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione
SMILESCCCC/C(=C/C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.CCCC/C(=C\C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(C)C.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(CC)CC.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCCCC1=O
InChIInChI=1S/C23H25NO4.2C22H25NO4.C22H27NO3.C20H23NO3/c1-3-4-9-16(23(28)24-13-8-7-12-20(24)25)14-19-15(2)21(26)17-10-5-6-11-18(17)22(19)27;2*1-3-4-7-16(22(26)23-10-12-27-13-11-23)14-19-15(2)20(24)17-8-5-6-9-18(17)21(19)25;1-5-8-11-16(22(26)23(6-2)7-3)14-19-15(4)20(24)17-12-9-10-13-18(17)21(19)25;1-5-6-9-14(20(24)21(3)4)12-17-13(2)18(22)15-10-7-8-11-16(15)19(17)23/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3;2*5-6,8-9,14H,3-4,7,10-13H2,1-2H3;9-10,12-14H,5-8,11H2,1-4H3;7-8,10-12H,5-6,9H2,1-4H3/b;16-14+;16-14-;;
InChIKeyAEPHUWUNFODCSP-XNSHGAEOSA-N
XLogP18.71
TPSA307.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.22
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione?
The IUPAC name of N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione (CID 157090448) is N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione.
What is the SMILES notation for N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione?
The canonical SMILES for N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione is CCCC/C(=C/C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.CCCC/C(=C\C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(C)C.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(CC)CC.CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)N1CCCCC1=O.
What is the InChIKey of N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione?
The InChIKey is AEPHUWUNFODCSP-XNSHGAEOSA-N. The full InChI is InChI=1S/C23H25NO4.2C22H25NO4.C22H27NO3.C20H23NO3/c1-3-4-9-16(23(28)24-13-8-7-12-20(24)25)14-19-15(2)21(26)17-10-5-6-11-18(17)22(19)27;2*1-3-4-7-16(22(26)23-10-12-27-13-11-23)14-19-15(2)20(24)17-8-5-6-9-18(17)21(19)25;1-5-8-11-16(22(26)23(6-2)7-3)14-19-15(4)20(24)17-12-9-10-13-18(17)21(19)25;1-5-6-9-14(20(24)21(3)4)12-17-13(2)18(22)15-10-7-8-11-16(15)19(17)23/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3;2*5-6,8-9,14H,3-4,7,10-13H2,1-2H3;9-10,12-14H,5-8,11H2,1-4H3;7-8,10-12H,5-6,9H2,1-4H3/b;16-14+;16-14-;;.
What are the key properties of N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione?
N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione has a molecular weight of 1793.22 g/mol, XLogP of 18.71, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;N,N-dimethyl-2-[(3-methyl-1,4-dioxonaphthalen-2-yl)methylidene]hexanamide;2-methyl-3-[(E)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[(Z)-2-(morpholine-4-carbonyl)hex-1-enyl]naphthalene-1,4-dione;2-methyl-3-[2-(2-oxopiperidine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione is sourced from PubChem (CID 157090448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).