N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide

C12H20ClNO — CID 103166954

IUPACN-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
SMILESO=C(CC1CCC1)N(CCCl)C1CCC1
InChIInChI=1S/C12H20ClNO/c13-7-8-14(11-5-2-6-11)12(15)9-10-3-1-4-10/h10-11H,1-9H2
InChIKeyNUPCMMKAMRZUSJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.80
Rot. Bonds5

About N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide

N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide (PubChem CID 103166954) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
PubChem CID103166954
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
SMILESO=C(CC1CCC1)N(CCCl)C1CCC1
InChIInChI=1S/C12H20ClNO/c13-7-8-14(11-5-2-6-11)12(15)9-10-3-1-4-10/h10-11H,1-9H2
InChIKeyNUPCMMKAMRZUSJ-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.80
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-cyclobutyl-2-cyclopropylacetamide
CID 102872541
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N-cyclopropyl-2-(thian-4-yl)acetamide
CID 83136807
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)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
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,2-di(cyclobutyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide (CID 103166954) is N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide is O=C(CC1CCC1)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide?
The InChIKey is NUPCMMKAMRZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-7-8-14(11-5-2-6-11)12(15)9-10-3-1-4-10/h10-11H,1-9H2.
What are the key properties of N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide?
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide has a molecular weight of 229.75 g/mol, XLogP of 2.80, 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,2-di(cyclobutyl)acetamide is sourced from PubChem (CID 103166954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).