2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide

C14H21BrN2O2 — CID 60670069

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-4-7-16-14(18)10-17(2)9-11-5-6-13(19-3)12(15)8-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,16,18)
InChIKeyITUSDSMGWLLRPF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.42
Rot. Bonds7

About 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide

2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide (PubChem CID 60670069) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
PubChem CID60670069
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-4-7-16-14(18)10-17(2)9-11-5-6-13(19-3)12(15)8-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,16,18)
InChIKeyITUSDSMGWLLRPF-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide 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

2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 60589402
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8925345
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8805837
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide (CID 60670069) is 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
The InChIKey is ITUSDSMGWLLRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-7-16-14(18)10-17(2)9-11-5-6-13(19-3)12(15)8-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide has a molecular weight of 329.24 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 60670069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).