2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide

C14H21ClN2O2 — CID 31477725

IUPAC2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-4-5-8-17(2)10-14(18)16-11-6-7-13(19-3)12(15)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyDCWREVFJDADTFI-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.02
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 31477725) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID31477725
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-4-5-8-17(2)10-14(18)16-11-6-7-13(19-3)12(15)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyDCWREVFJDADTFI-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide 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

3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
CID 19855901
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669592
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 119928898
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912902
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 31477725) is 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide is CCCCN(C)CC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is DCWREVFJDADTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-5-8-17(2)10-14(18)16-11-6-7-13(19-3)12(15)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 284.79 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 31477725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).