N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide

C21H20N2O4 — CID 76780174

IUPACN-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide
SMILESCc1oc(C(C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)NO
InChIInChI=1S/C21H20N2O4/c1-13(19-12-18(14(2)27-19)21(25)23-26)22-20(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,26H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPPAZXPVHHMBUBW-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.87
Rot. Bonds5

About N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide

N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide (PubChem CID 76780174) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide
PubChem CID76780174
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide
SMILESCc1oc(C(C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)NO
InChIInChI=1S/C21H20N2O4/c1-13(19-12-18(14(2)27-19)21(25)23-26)22-20(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,26H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPPAZXPVHHMBUBW-UHFFFAOYSA-N
XLogP3.87
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.87
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'}

Analyze N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide
CID 76780166
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
N-hydroxy-5-[(1S)-1-[(4-phenylbenzoyl)amino]butyl]furan-2-carboxamide
CID 58418310
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide
CID 87199529
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
CID 59956200

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide?
The IUPAC name of N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide (CID 76780174) is N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide is Cc1oc(C(C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide?
The InChIKey is PPAZXPVHHMBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13(19-12-18(14(2)27-19)21(25)23-26)22-20(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,26H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide?
N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 76780174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).