N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide

C18H26N2O2 — CID 125145050

IUPACN'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-14-8-5-6-12-16(14)20-18(22)17(21)19-13-7-11-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1
InChIKeyHKMHCEOXPSPDJY-ZBFHGGJFSA-N
MW302.42 g/mol
LogP2.43
Rot. Bonds5

About N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide

N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide (PubChem CID 125145050) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
PubChem CID125145050
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-14-8-5-6-12-16(14)20-18(22)17(21)19-13-7-11-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1
InChIKeyHKMHCEOXPSPDJY-ZBFHGGJFSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762
N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide
CID 108505284
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
CID 108518943
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1S,2R)-2-methylcyclohexyl]oxamide
CID 40720382
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
1-benzyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 7924746
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide (CID 125145050) is N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide is C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1.
What is the InChIKey of N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is HKMHCEOXPSPDJY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-5-6-12-16(14)20-18(22)17(21)19-13-7-11-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1.
What are the key properties of N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide?
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 302.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 125145050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).