4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

C20H22N2O3 — CID 95124394

IUPAC4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C20H22N2O3/c23-18(14-5-2-1-3-6-14)13-21-19(24)16-9-11-17(12-10-16)22-20(25)15-7-4-8-15/h1-3,5-6,9-12,15,18,23H,4,7-8,13H2,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyMXPBPOUZQOYAFV-GOSISDBHSA-N
MW338.41 g/mol
LogP2.89
Rot. Bonds6

About 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 95124394) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID95124394
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C20H22N2O3/c23-18(14-5-2-1-3-6-14)13-21-19(24)16-9-11-17(12-10-16)22-20(25)15-7-4-8-15/h1-3,5-6,9-12,15,18,23H,4,7-8,13H2,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyMXPBPOUZQOYAFV-GOSISDBHSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.89
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-(2-methylpropyl)benzamide
CID 47309837
4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102382
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
4-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 39314332
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 97017538
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
CID 177007541
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 24658372
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (CID 95124394) is 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is O=C(NC[C@@H](O)c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is MXPBPOUZQOYAFV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18(14-5-2-1-3-6-14)13-21-19(24)16-9-11-17(12-10-16)22-20(25)15-7-4-8-15/h1-3,5-6,9-12,15,18,23H,4,7-8,13H2,(H,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 95124394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).