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

C13H24N2O2 — CID 11897539

IUPACN'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C13H24N2O2/c1-4-10(3)14-12(16)13(17)15-11-8-6-5-7-9(11)2/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)/t9-,10+,11-/m0/s1
InChIKeyCYDHGRHMLIWNRZ-AXFHLTTASA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds3

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

N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide (PubChem CID 11897539) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
PubChem CID11897539
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C13H24N2O2/c1-4-10(3)14-12(16)13(17)15-11-8-6-5-7-9(11)2/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)/t9-,10+,11-/m0/s1
InChIKeyCYDHGRHMLIWNRZ-AXFHLTTASA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide with MolForge

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Related Compounds

1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
N'-(2-methylcyclohexyl)-N-(2-methylpropyl)oxamide
CID 108504857
(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108834476
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
3-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62853775
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
N-(2-methylcyclohexyl)butanamide
CID 47005567

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide?
The IUPAC name of N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide (CID 11897539) is N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide.
What is the SMILES notation for N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide?
The canonical SMILES for N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide is CC[C@@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide?
The InChIKey is CYDHGRHMLIWNRZ-AXFHLTTASA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(3)14-12(16)13(17)15-11-8-6-5-7-9(11)2/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)/t9-,10+,11-/m0/s1.
What are the key properties of N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide?
N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide is sourced from PubChem (CID 11897539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).