N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide

C15H24N2O — CID 115680039

IUPACN-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
SMILESN#CCCN(C(=O)CC1CCCCCC1)C1CC1
InChIInChI=1S/C15H24N2O/c16-10-5-11-17(14-8-9-14)15(18)12-13-6-3-1-2-4-7-13/h13-14H,1-9,11-12H2
InChIKeyOFBSPSTYTNVWJU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.25
Rot. Bonds5

About N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide

N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide (PubChem CID 115680039) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
PubChem CID115680039
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
SMILESN#CCCN(C(=O)CC1CCCCCC1)C1CC1
InChIInChI=1S/C15H24N2O/c16-10-5-11-17(14-8-9-14)15(18)12-13-6-3-1-2-4-7-13/h13-14H,1-9,11-12H2
InChIKeyOFBSPSTYTNVWJU-UHFFFAOYSA-N
XLogP3.25
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
CID 61038810
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
N-(4-aminocyclohexyl)-2-cyclopentyl-N-propylacetamide
CID 79111500
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
CID 103520343
N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
CID 79286595

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide (CID 115680039) is N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide is N#CCCN(C(=O)CC1CCCCCC1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide?
The InChIKey is OFBSPSTYTNVWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-10-5-11-17(14-8-9-14)15(18)12-13-6-3-1-2-4-7-13/h13-14H,1-9,11-12H2.
What are the key properties of N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide?
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide has a molecular weight of 248.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide is sourced from PubChem (CID 115680039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).