N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide

C11H18ClNO — CID 102872541

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N(CCCl)C1CCC1
InChIInChI=1S/C11H18ClNO/c12-6-7-13(10-2-1-3-10)11(14)8-9-4-5-9/h9-10H,1-8H2
InChIKeyRJTSKWIAKHDTOI-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.41
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide

N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide (PubChem CID 102872541) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
PubChem CID102872541
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N(CCCl)C1CCC1
InChIInChI=1S/C11H18ClNO/c12-6-7-13(10-2-1-3-10)11(14)8-9-4-5-9/h9-10H,1-8H2
InChIKeyRJTSKWIAKHDTOI-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N-cyclopropyl-2-(thian-4-yl)acetamide
CID 83136807
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
3-[(2-cyclopentylacetyl)-(oxan-4-yl)amino]propanoic acid
CID 119212280
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide (CID 102872541) is N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide is O=C(CC1CC1)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide?
The InChIKey is RJTSKWIAKHDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c12-6-7-13(10-2-1-3-10)11(14)8-9-4-5-9/h9-10H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide?
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide has a molecular weight of 215.72 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide is sourced from PubChem (CID 102872541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).