N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide

C12H22ClNO — CID 102872769

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(CCCl)C1CCC1
InChIInChI=1S/C12H22ClNO/c1-3-10(4-2)12(15)14(9-8-13)11-6-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyPHFLVTHCHJVBKI-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.04
Rot. Bonds6

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

N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide (PubChem CID 102872769) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
PubChem CID102872769
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(CCCl)C1CCC1
InChIInChI=1S/C12H22ClNO/c1-3-10(4-2)12(15)14(9-8-13)11-6-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyPHFLVTHCHJVBKI-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.04
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

2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102861278
N,N-bis(2-chloroethyl)-2-ethylbutanamide
CID 79018634
N-cyclobutyl-2-ethyl-N-(3-hydroxypropyl)hexanamide
CID 102866331
N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
CID 102873018
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
CID 114876819
N-(2-aminoethyl)-N-cyclobutyl-2-propylpentanamide
CID 102874048
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
N-(3-aminopropyl)-N-cycloheptyl-2-propylpentanamide
CID 82984278
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840
(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
CID 79024466

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide (CID 102872769) is N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide is CCC(CC)C(=O)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide?
The InChIKey is PHFLVTHCHJVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-3-10(4-2)12(15)14(9-8-13)11-6-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide?
N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide has a molecular weight of 231.77 g/mol, XLogP of 3.04, 6 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-ethylbutanamide is sourced from PubChem (CID 102872769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).