3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide

C20H22N2O2 — CID 108573771

IUPAC3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)CCc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-11,13H,12,14-16H2,(H,21,23)(H,22,24)/b13-11+
InChIKeyYUAPZRCXJSQAII-ACCUITESSA-N
MW322.41 g/mol
LogP2.57
Rot. Bonds8

About 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide

3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide (PubChem CID 108573771) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
PubChem CID108573771
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)CCc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-11,13H,12,14-16H2,(H,21,23)(H,22,24)/b13-11+
InChIKeyYUAPZRCXJSQAII-ACCUITESSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-[4-[2-oxo-2-[4-[(E)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]acetyl]phenyl]prop-2-enoic acid
CID 10434059
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
3-phenylpropanoic acid;(E)-3-phenylprop-2-enoic acid
CID 175391892
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide (CID 108573771) is 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide is O=C(/C=C/c1ccccc1)NCCNC(=O)CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide?
The InChIKey is YUAPZRCXJSQAII-ACCUITESSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-11,13H,12,14-16H2,(H,21,23)(H,22,24)/b13-11+.
What are the key properties of 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide?
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide is sourced from PubChem (CID 108573771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).