2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate

C18H21N3O4 — CID 45109657

IUPAC2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
SMILESCN(C)c1ccc(CCOC(=O)NNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C18H21N3O4/c1-21(2)15-7-5-14(6-8-15)11-13-25-18(23)20-19-17(22)10-9-16-4-3-12-24-16/h3-10,12H,11,13H2,1-2H3,(H,19,22)(H,20,23)/b10-9+
InChIKeyINMRBYFYEALPDY-MDZDMXLPSA-N
MW343.38 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate

2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate (PubChem CID 45109657) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
PubChem CID45109657
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
SMILESCN(C)c1ccc(CCOC(=O)NNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C18H21N3O4/c1-21(2)15-7-5-14(6-8-15)11-13-25-18(23)20-19-17(22)10-9-16-4-3-12-24-16/h3-10,12H,11,13H2,1-2H3,(H,19,22)(H,20,23)/b10-9+
InChIKeyINMRBYFYEALPDY-MDZDMXLPSA-N
XLogP2.36
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 6734368
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 6735862
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamate
CID 6134787
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
(1-benzylpyrrolidin-2-yl)methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109367
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate?
The IUPAC name of 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate (CID 45109657) is 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate is CN(C)c1ccc(CCOC(=O)NNC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate?
The InChIKey is INMRBYFYEALPDY-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21(2)15-7-5-14(6-8-15)11-13-25-18(23)20-19-17(22)10-9-16-4-3-12-24-16/h3-10,12H,11,13H2,1-2H3,(H,19,22)(H,20,23)/b10-9+.
What are the key properties of 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate?
2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate has a molecular weight of 343.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate is sourced from PubChem (CID 45109657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).