N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide

C14H21BrN2O2 — CID 119582485

IUPACN-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)C(C)CN)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(9-16)17(2)14(18)7-5-11-4-6-13(19-3)12(15)8-11/h4,6,8,10H,5,7,9,16H2,1-3H3
InChIKeyHMQBJACRFUIEQX-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.20
Rot. Bonds6

About N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide

N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide (PubChem CID 119582485) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
PubChem CID119582485
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)C(C)CN)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(9-16)17(2)14(18)7-5-11-4-6-13(19-3)12(15)8-11/h4,6,8,10H,5,7,9,16H2,1-3H3
InChIKeyHMQBJACRFUIEQX-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075
3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 117042265
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
methyl 3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]propanoate
CID 115232567

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide (CID 119582485) is N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)C(C)CN)cc1Br.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is HMQBJACRFUIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(9-16)17(2)14(18)7-5-11-4-6-13(19-3)12(15)8-11/h4,6,8,10H,5,7,9,16H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide?
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 119582485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).