4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide

C13H19ClN2O — CID 54870716

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCN
InChIInChI=1S/C13H19ClN2O/c1-10(11-5-7-12(14)8-6-11)16(2)13(17)4-3-9-15/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyUCAWQIQEXBSYKV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.60
Rot. Bonds5

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide (PubChem CID 54870716) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
PubChem CID54870716
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCN
InChIInChI=1S/C13H19ClN2O/c1-10(11-5-7-12(14)8-6-11)16(2)13(17)4-3-9-15/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyUCAWQIQEXBSYKV-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide 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

6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46431231
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide (CID 54870716) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide?
The InChIKey is UCAWQIQEXBSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(11-5-7-12(14)8-6-11)16(2)13(17)4-3-9-15/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide has a molecular weight of 254.76 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 54870716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).