N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide

C14H25NO — CID 58004815

IUPACN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13+/m1/s1
InChIKeyMQNYSPJVIUCDEG-WXHSDQCUSA-N
MW223.36 g/mol
LogP2.97
Rot. Bonds3

About N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide

N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide (PubChem CID 58004815) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
PubChem CID58004815
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13+/m1/s1
InChIKeyMQNYSPJVIUCDEG-WXHSDQCUSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclopropyl-5-methyl-2-(2-propanyl)cyclohexanecarboxamide
CID 10176881
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
Cyclopropanecarboxylic acid (2-isopropyl-5-methyl-cyclohexyl)-amide, (1R,2R,5S)-
CID 59847877
N-(2,3-dimethylcyclohexyl)-2-methylpropanamide
CID 45353039
Acetamide, N-(3-cyclohexylmethyl-1-cyclohexyl)-, (E)-
CID 24832173
Acetamide, N-(3-cyclohexylmethyl-1-cyclohexyl)-, (Z)-
CID 24832174
N-(2-tert-butylcyclohexyl)-2-methylcyclopropanecarboxamide
CID 6468770
Cyclopropane carboxylic acid (2-isopropyl-5-methyl cyclohexyl) amide
CID 60756860
Propanamide, N-(1-cyclohexylethyl)-
CID 541858
N-acetyl-2-ethylcyclohexylamine
CID 60756902
N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
CID 164672971
3,3-dimethyl-N-(2-methylcyclohexyl)butanamide
CID 4475477

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide (CID 58004815) is N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The InChIKey is MQNYSPJVIUCDEG-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13+/m1/s1.
What are the key properties of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide has a molecular weight of 223.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 58004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).