N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide

C17H24N2O4 — CID 70904968

IUPACN-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide
SMILESCCCCC(=O)C(=O)NCC(=O)NC(C(C)=O)C1=CC=CCC1
InChIInChI=1S/C17H24N2O4/c1-3-4-10-14(21)17(23)18-11-15(22)19-16(12(2)20)13-8-6-5-7-9-13/h5-6,8,16H,3-4,7,9-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyDBWQCEKRPYILEP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.21
Rot. Bonds9

About N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide

N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide (PubChem CID 70904968) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide.

Molecular Properties

Compound NameN-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide
PubChem CID70904968
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide
SMILESCCCCC(=O)C(=O)NCC(=O)NC(C(C)=O)C1=CC=CCC1
InChIInChI=1S/C17H24N2O4/c1-3-4-10-14(21)17(23)18-11-15(22)19-16(12(2)20)13-8-6-5-7-9-13/h5-6,8,16H,3-4,7,9-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyDBWQCEKRPYILEP-UHFFFAOYSA-N
XLogP1.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide?
The IUPAC name of N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide (CID 70904968) is N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide.
What is the SMILES notation for N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide?
The canonical SMILES for N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide is CCCCC(=O)C(=O)NCC(=O)NC(C(C)=O)C1=CC=CCC1.
What is the InChIKey of N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide?
The InChIKey is DBWQCEKRPYILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-4-10-14(21)17(23)18-11-15(22)19-16(12(2)20)13-8-6-5-7-9-13/h5-6,8,16H,3-4,7,9-11H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide?
N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide has a molecular weight of 320.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclohexa-1,3-dien-1-yl-2-oxopropyl)amino]-2-oxoethyl]-2-oxohexanamide is sourced from PubChem (CID 70904968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).