N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide

C21H26N2O3 — CID 121112357

IUPACN'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCC(CCO)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-16-8-10-19(11-9-16)23-21(26)20(25)22-14-12-18(13-15-24)17-6-4-3-5-7-17/h3-11,18,24H,2,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyBSABTMQHDQGZPK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.86
Rot. Bonds8

About N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide

N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide (PubChem CID 121112357) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
PubChem CID121112357
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCC(CCO)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-16-8-10-19(11-9-16)23-21(26)20(25)22-14-12-18(13-15-24)17-6-4-3-5-7-17/h3-11,18,24H,2,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyBSABTMQHDQGZPK-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99872932
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
N'-phenyl-N-propyloxamide
CID 2291438
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
CID 121112218
N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 121112407
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide (CID 121112357) is N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide is CCc1ccc(NC(=O)C(=O)NCCC(CCO)c2ccccc2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide?
The InChIKey is BSABTMQHDQGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-16-8-10-19(11-9-16)23-21(26)20(25)22-14-12-18(13-15-24)17-6-4-3-5-7-17/h3-11,18,24H,2,12-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide?
N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide has a molecular weight of 354.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide is sourced from PubChem (CID 121112357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).