N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide

C17H24N2O3 — CID 111332854

IUPACN'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H24N2O3/c20-15(16(21)19-13-17(22)10-4-5-11-17)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,22H,4-6,9-13H2,(H,18,20)(H,19,21)
InChIKeyRWQKHKNRFLNVFP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.16
Rot. Bonds6

About N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide

N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide (PubChem CID 111332854) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
PubChem CID111332854
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H24N2O3/c20-15(16(21)19-13-17(22)10-4-5-11-17)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,22H,4-6,9-13H2,(H,18,20)(H,19,21)
InChIKeyRWQKHKNRFLNVFP-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-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
CID 110008529
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
3-phenylpropylurea;hydrochloride
CID 174579396
1-(3-phenylpropylamino)cyclohexan-1-ol
CID 141002398
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
2,3-dimethyl-4-oxo-4-(3-phenylpropylamino)but-2-enoic acid
CID 76991316
2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide
CID 87344500
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658

Frequently Asked Questions

What is the IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide (CID 111332854) is N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)C(=O)NCC1(O)CCCC1.
What is the InChIKey of N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is RWQKHKNRFLNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15(16(21)19-13-17(22)10-4-5-11-17)18-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,22H,4-6,9-13H2,(H,18,20)(H,19,21).
What are the key properties of N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide?
N'-[(1-hydroxycyclopentyl)methyl]-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-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 111332854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).