N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide

C22H22N2O4 — CID 58418310

IUPACN-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide
SMILESCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)NO)o1
InChIInChI=1S/C22H22N2O4/c1-2-6-18(19-13-14-20(28-19)22(26)24-27)23-21(25)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-14,18,27H,2,6H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
InChIKeyJDWZKIVZOPKXQP-SFHVURJKSA-N
MW378.43 g/mol
LogP4.34
Rot. Bonds7

About N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide

N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide (PubChem CID 58418310) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide
PubChem CID58418310
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide
SMILESCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)NO)o1
InChIInChI=1S/C22H22N2O4/c1-2-6-18(19-13-14-20(28-19)22(26)24-27)23-21(25)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-14,18,27H,2,6H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
InChIKeyJDWZKIVZOPKXQP-SFHVURJKSA-N
XLogP4.34
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide
CID 88903392
N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
CID 76779904
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-[[2-benzamido-3-(4-phenylphenyl)propanoyl]amino]-N-hydroxybenzamide
CID 73041441
N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide
CID 76780174
(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
CID 59696983
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide
CID 29116117
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide?
The IUPAC name of N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide (CID 58418310) is N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide is CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)NO)o1.
What is the InChIKey of N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide?
The InChIKey is JDWZKIVZOPKXQP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-6-18(19-13-14-20(28-19)22(26)24-27)23-21(25)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-14,18,27H,2,6H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1.
What are the key properties of N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide?
N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide is sourced from PubChem (CID 58418310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).