[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate

C24H21NO3 — CID 11728397

IUPAC[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate
SMILESO=C(ON(Cc1ccccc1)C(=O)C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3/c26-23(18-10-15-20-11-4-1-5-12-20)25(19-21-13-6-2-7-14-21)28-24(27)22-16-8-3-9-17-22/h1-17H,18-19H2/b15-10+
InChIKeyHNPUYRMKLHCLBZ-XNTDXEJSSA-N
MW371.44 g/mol
LogP4.89
Rot. Bonds6

About [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate

[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate (PubChem CID 11728397) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate.

Molecular Properties

Compound Name[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate
PubChem CID11728397
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate
SMILESO=C(ON(Cc1ccccc1)C(=O)C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3/c26-23(18-10-15-20-11-4-1-5-12-20)25(19-21-13-6-2-7-14-21)28-24(27)22-16-8-3-9-17-22/h1-17H,18-19H2/b15-10+
InChIKeyHNPUYRMKLHCLBZ-XNTDXEJSSA-N
XLogP4.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoyloxy(benzyl)carbamic acid
CID 88793521
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
zinc bis(4-phenylbut-3-enoate)
CID 66673127
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
methyl (2R)-2-[benzyl-[(E)-3-phenylprop-2-enyl]amino]-3-methylbutanoate
CID 164887967
[2-(dibenzylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860757
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038

Frequently Asked Questions

What is the IUPAC name of [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate?
The IUPAC name of [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate (CID 11728397) is [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate.
What is the SMILES notation for [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate?
The canonical SMILES for [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate is O=C(ON(Cc1ccccc1)C(=O)C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate?
The InChIKey is HNPUYRMKLHCLBZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H21NO3/c26-23(18-10-15-20-11-4-1-5-12-20)25(19-21-13-6-2-7-14-21)28-24(27)22-16-8-3-9-17-22/h1-17H,18-19H2/b15-10+.
What are the key properties of [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate?
[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate has a molecular weight of 371.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate is sourced from PubChem (CID 11728397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).