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

C9H16N2O2 — CID 124605602

IUPACN'-[(1R,2S)-2-methylcyclohexyl]oxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-6-4-2-3-5-7(6)11-9(13)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)/t6-,7+/m0/s1
InChIKeyXNUXJNOUJDNCQZ-NKWVEPMBSA-N
MW184.24 g/mol
LogP0.17
Rot. Bonds1

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

N'-[(1R,2S)-2-methylcyclohexyl]oxamide (PubChem CID 124605602) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N'-[(1R,2S)-2-methylcyclohexyl]oxamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-methylcyclohexyl]oxamide
PubChem CID124605602
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN'-[(1R,2S)-2-methylcyclohexyl]oxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-6-4-2-3-5-7(6)11-9(13)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)/t6-,7+/m0/s1
InChIKeyXNUXJNOUJDNCQZ-NKWVEPMBSA-N
XLogP0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylcyclohexyl)urea
CID 3345444
(2-methylcyclopentyl)urea
CID 63281869
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
CID 131015397
N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 11897539
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
2-methyl-1-(2-methylcyclohexyl)guanidine
CID 62359337
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
N'-(2-methylcyclohexyl)-N-(2-methylpropyl)oxamide
CID 108504857
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide
CID 116674519
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-methylcyclohexyl]oxamide?
The IUPAC name of N'-[(1R,2S)-2-methylcyclohexyl]oxamide (CID 124605602) is N'-[(1R,2S)-2-methylcyclohexyl]oxamide.
What is the SMILES notation for N'-[(1R,2S)-2-methylcyclohexyl]oxamide?
The canonical SMILES for N'-[(1R,2S)-2-methylcyclohexyl]oxamide is C[C@H]1CCCC[C@H]1NC(=O)C(N)=O.
What is the InChIKey of N'-[(1R,2S)-2-methylcyclohexyl]oxamide?
The InChIKey is XNUXJNOUJDNCQZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-4-2-3-5-7(6)11-9(13)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)/t6-,7+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-methylcyclohexyl]oxamide?
N'-[(1R,2S)-2-methylcyclohexyl]oxamide has a molecular weight of 184.24 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-methylcyclohexyl]oxamide is sourced from PubChem (CID 124605602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).