4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide

C10H18ClNO — CID 63956164

IUPAC4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
SMILESCCN(CC1CC1)C(=O)CCCCl
InChIInChI=1S/C10H18ClNO/c1-2-12(8-9-5-6-9)10(13)4-3-7-11/h9H,2-8H2,1H3
InChIKeyYJFUWIWIQXDRQB-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.26
Rot. Bonds6

About 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide

4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide (PubChem CID 63956164) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
PubChem CID63956164
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
SMILESCCN(CC1CC1)C(=O)CCCCl
InChIInChI=1S/C10H18ClNO/c1-2-12(8-9-5-6-9)10(13)4-3-7-11/h9H,2-8H2,1H3
InChIKeyYJFUWIWIQXDRQB-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N-ethyl-5-hydroxypentanamide
CID 79209482
7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
CID 119784610
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)acetamide
CID 63954155
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 63308729
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
4-chloro-N-cyclohexyl-N-ethylbutanamide
CID 13048749
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
CID 115761109
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 79720897
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide (CID 63956164) is 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide is CCN(CC1CC1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide?
The InChIKey is YJFUWIWIQXDRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-12(8-9-5-6-9)10(13)4-3-7-11/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide?
4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide has a molecular weight of 203.71 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide is sourced from PubChem (CID 63956164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).