N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide

C21H24N2O3 — CID 166293210

IUPACN-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC2CCC(O)C2)cc(-c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-14-9-17(16-5-3-2-4-6-16)12-18(10-14)23-21(26)20(25)22-13-15-7-8-19(24)11-15/h2-6,9-10,12,15,19,24H,7-8,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyHFMJAWHJFFWGNS-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.88
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide

N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide (PubChem CID 166293210) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide
PubChem CID166293210
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC2CCC(O)C2)cc(-c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-14-9-17(16-5-3-2-4-6-16)12-18(10-14)23-21(26)20(25)22-13-15-7-8-19(24)11-15/h2-6,9-10,12,15,19,24H,7-8,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyHFMJAWHJFFWGNS-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.88
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'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
CID 99828767
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16886755
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
CID 99858997
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
CID 111490641
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
CID 103280647

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide (CID 166293210) is N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide is Cc1cc(NC(=O)C(=O)NCC2CCC(O)C2)cc(-c2ccccc2)c1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide?
The InChIKey is HFMJAWHJFFWGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-17(16-5-3-2-4-6-16)12-18(10-14)23-21(26)20(25)22-13-15-7-8-19(24)11-15/h2-6,9-10,12,15,19,24H,7-8,11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide?
N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide has a molecular weight of 352.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide is sourced from PubChem (CID 166293210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).