(E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide

C19H21N3O2 — CID 139558717

IUPAC(E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide
SMILESCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-21-22-19(24)17-11-8-16(9-12-17)14-20-18(23)13-10-15-6-4-3-5-7-15/h3-13,21H,2,14H2,1H3,(H,20,23)(H,22,24)/b13-10+
InChIKeySCAMUXWFQPVTJA-JLHYYAGUSA-N
MW323.40 g/mol
LogP2.27
Rot. Bonds7

About (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide

(E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide (PubChem CID 139558717) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide
PubChem CID139558717
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide
SMILESCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-21-22-19(24)17-11-8-16(9-12-17)14-20-18(23)13-10-15-6-4-3-5-7-15/h3-13,21H,2,14H2,1H3,(H,20,23)(H,22,24)/b13-10+
InChIKeySCAMUXWFQPVTJA-JLHYYAGUSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Procarbazine
CID 4915
Tebufenozide
CID 91773
Procarbazine Hydrochloride
CID 9703
Benmoxin
CID 71671
N-Propylbenzamide
CID 25354
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide (CID 139558717) is (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide is CCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is SCAMUXWFQPVTJA-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-21-22-19(24)17-11-8-16(9-12-17)14-20-18(23)13-10-15-6-4-3-5-7-15/h3-13,21H,2,14H2,1H3,(H,20,23)(H,22,24)/b13-10+.
What are the key properties of (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 323.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 139558717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).