4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide

C20H22N2O3 — CID 111102382

IUPAC4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H22N2O3/c23-18(12-14-4-2-1-3-5-14)13-21-19(24)15-8-10-17(11-9-15)22-20(25)16-6-7-16/h1-5,8-11,16,18,23H,6-7,12-13H2,(H,21,24)(H,22,25)
InChIKeyLMAZHDUUMQGNEO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.37
Rot. Bonds7

About 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide

4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 111102382) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID111102382
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H22N2O3/c23-18(12-14-4-2-1-3-5-14)13-21-19(24)15-8-10-17(11-9-15)22-20(25)16-6-7-16/h1-5,8-11,16,18,23H,6-7,12-13H2,(H,21,24)(H,22,25)
InChIKeyLMAZHDUUMQGNEO-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutanecarbonylamino)-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 95124395
4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 95124394
2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
CID 91343467
4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243250
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 97017538
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 111102382) is 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide is O=C(NCC(O)Cc1ccccc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is LMAZHDUUMQGNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18(12-14-4-2-1-3-5-14)13-21-19(24)15-8-10-17(11-9-15)22-20(25)16-6-7-16/h1-5,8-11,16,18,23H,6-7,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide?
4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 111102382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).