N-[(1S,2R)-2-methylcycloheptyl]acetamide

C10H19NO — CID 162401737

IUPACN-[(1S,2R)-2-methylcycloheptyl]acetamide
SMILESCC(=O)N[C@H]1CCCCC[C@H]1C
InChIInChI=1S/C10H19NO/c1-8-6-4-3-5-7-10(8)11-9(2)12/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m1/s1
InChIKeyFWKFAUDSPHNKNT-SCZZXKLOSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds1

About N-[(1S,2R)-2-methylcycloheptyl]acetamide

N-[(1S,2R)-2-methylcycloheptyl]acetamide (PubChem CID 162401737) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcycloheptyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcycloheptyl]acetamide
PubChem CID162401737
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(1S,2R)-2-methylcycloheptyl]acetamide
SMILESCC(=O)N[C@H]1CCCCC[C@H]1C
InChIInChI=1S/C10H19NO/c1-8-6-4-3-5-7-10(8)11-9(2)12/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m1/s1
InChIKeyFWKFAUDSPHNKNT-SCZZXKLOSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(13-Methyltetradecyl)acetamide
CID 47346
Menthol lactam
CID 12349329
N-(4-(Cyclohexylmethyl)cyclohexyl)acetamide
CID 98877
Acetamide, N-(4-hexyl-1-cyclohexyl)-
CID 38108
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
Valeramide, N-isopropyl-2-propyl-
CID 200920
5-Methyl-2-(propan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-ol
CID 208300
N-(2-Propylpentyl)ethanimidic acid
CID 218531
N-(4-Methylcyclohexyl)acetamide
CID 286632
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
Acetamide, N-(3-cyclohexylmethyl-1-cyclohexyl)-, (E)-
CID 24832173

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcycloheptyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-methylcycloheptyl]acetamide (CID 162401737) is N-[(1S,2R)-2-methylcycloheptyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcycloheptyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcycloheptyl]acetamide is CC(=O)N[C@H]1CCCCC[C@H]1C.
What is the InChIKey of N-[(1S,2R)-2-methylcycloheptyl]acetamide?
The InChIKey is FWKFAUDSPHNKNT-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-6-4-3-5-7-10(8)11-9(2)12/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcycloheptyl]acetamide?
N-[(1S,2R)-2-methylcycloheptyl]acetamide has a molecular weight of 169.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcycloheptyl]acetamide is sourced from PubChem (CID 162401737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).