2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide

C25H24N2O3 — CID 4935071

IUPAC2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-18(19-10-4-3-5-11-19)26-25(29)21-13-7-8-14-22(21)27-24(28)17-16-20-12-6-9-15-23(20)30-2/h3-18H,1-2H3,(H,26,29)(H,27,28)
InChIKeyRAZIDVWAILGOLK-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.84
Rot. Bonds7

About 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide

2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 4935071) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide
PubChem CID4935071
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-18(19-10-4-3-5-11-19)26-25(29)21-13-7-8-14-22(21)27-24(28)17-16-20-12-6-9-15-23(20)30-2/h3-18H,1-2H3,(H,26,29)(H,27,28)
InChIKeyRAZIDVWAILGOLK-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-N-propan-2-ylbenzamide
CID 4945609
2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 55874184
N-(2,3-dimethylphenyl)-2-[[(Z)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 9321403
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42996288
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
CID 4943270
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 6234194
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]-N-(1-phenylethyl)benzamide
CID 4935268
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
3-methoxy-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 92674914
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide (CID 4935071) is 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide is COc1ccccc1C=CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is RAZIDVWAILGOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(19-10-4-3-5-11-19)26-25(29)21-13-7-8-14-22(21)27-24(28)17-16-20-12-6-9-15-23(20)30-2/h3-18H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide?
2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4935071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).