N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide

C17H24N2O3 — CID 110008529

IUPACN'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C17H24N2O3/c20-13-17(10-4-5-11-17)19-16(22)15(21)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,20H,4-6,9-13H2,(H,18,21)(H,19,22)
InChIKeyNKUMFKFDAMXMHH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.16
Rot. Bonds6

About N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide

N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide (PubChem CID 110008529) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
PubChem CID110008529
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C17H24N2O3/c20-13-17(10-4-5-11-17)19-16(22)15(21)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,20H,4-6,9-13H2,(H,18,21)(H,19,22)
InChIKeyNKUMFKFDAMXMHH-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
CID 111332854
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide
CID 62521811
3-phenylpropylurea;hydrochloride
CID 174579396
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
2,3-dimethyl-4-oxo-4-(3-phenylpropylamino)but-2-enoic acid
CID 76991316
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857

Frequently Asked Questions

What is the IUPAC name of N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide (CID 110008529) is N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)C(=O)NC1(CO)CCCC1.
What is the InChIKey of N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is NKUMFKFDAMXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-13-17(10-4-5-11-17)19-16(22)15(21)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,20H,4-6,9-13H2,(H,18,21)(H,19,22).
What are the key properties of N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide?
N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 304.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 110008529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).