N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide

C17H27BrN2O2 — CID 119658573

IUPACN-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CCC(N)C(C)C)cc1Br
InChIInChI=1S/C17H27BrN2O2/c1-12(2)15(19)9-10-20(3)17(21)8-6-13-5-7-16(22-4)14(18)11-13/h5,7,11-12,15H,6,8-10,19H2,1-4H3
InChIKeyKUJWCDBXEAKLNF-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.22
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide

N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide (PubChem CID 119658573) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
PubChem CID119658573
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC NameN-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CCC(N)C(C)C)cc1Br
InChIInChI=1S/C17H27BrN2O2/c1-12(2)15(19)9-10-20(3)17(21)8-6-13-5-7-16(22-4)14(18)11-13/h5,7,11-12,15H,6,8-10,19H2,1-4H3
InChIKeyKUJWCDBXEAKLNF-UHFFFAOYSA-N
XLogP3.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide 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-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 119658416
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 117042265

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide (CID 119658573) is N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)CCC(N)C(C)C)cc1Br.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is KUJWCDBXEAKLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2/c1-12(2)15(19)9-10-20(3)17(21)8-6-13-5-7-16(22-4)14(18)11-13/h5,7,11-12,15H,6,8-10,19H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 371.32 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 119658573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).