4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide

C25H24N2O3 — CID 97081272

IUPAC4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](Cc1cccc(O)c1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H24N2O3/c28-22-8-4-5-17(15-22)16-23(18-6-2-1-3-7-18)27-25(30)20-11-13-21(14-12-20)26-24(29)19-9-10-19/h1-8,11-15,19,23,28H,9-10,16H2,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyVOMLSDGVXDZDFY-QHCPKHFHSA-N
MW400.48 g/mol
LogP4.45
Rot. Bonds7

About 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide

4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide (PubChem CID 97081272) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide
PubChem CID97081272
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](Cc1cccc(O)c1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H24N2O3/c28-22-8-4-5-17(15-22)16-23(18-6-2-1-3-7-18)27-25(30)20-11-13-21(14-12-20)26-24(29)19-9-10-19/h1-8,11-15,19,23,28H,9-10,16H2,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyVOMLSDGVXDZDFY-QHCPKHFHSA-N
XLogP4.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55573094
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219053
4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102382
N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
CID 146094351
4-(cyclobutanecarbonylamino)-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 95124395
4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 95124394
2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243250
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
4-(carbamoylamino)-N-[2-(4-chlorophenyl)-1-phenylethyl]benzamide
CID 55976674
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide (CID 97081272) is 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide is O=C(N[C@@H](Cc1cccc(O)c1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide?
The InChIKey is VOMLSDGVXDZDFY-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-22-8-4-5-17(15-22)16-23(18-6-2-1-3-7-18)27-25(30)20-11-13-21(14-12-20)26-24(29)19-9-10-19/h1-8,11-15,19,23,28H,9-10,16H2,(H,26,29)(H,27,30)/t23-/m0/s1.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide is sourced from PubChem (CID 97081272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).