N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide

C17H25BrN2O3 — CID 119668429

IUPACN-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide
SMILESCCCCC(CN)NC(=O)CCC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H25BrN2O3/c1-3-4-5-13(11-19)20-17(22)9-7-15(21)14-10-12(18)6-8-16(14)23-2/h6,8,10,13H,3-5,7,9,11,19H2,1-2H3,(H,20,22)
InChIKeyJORTYVNQWAIQPD-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.05
Rot. Bonds10

About N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide

N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide (PubChem CID 119668429) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide
PubChem CID119668429
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC NameN-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide
SMILESCCCCC(CN)NC(=O)CCC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H25BrN2O3/c1-3-4-5-13(11-19)20-17(22)9-7-15(21)14-10-12(18)6-8-16(14)23-2/h6,8,10,13H,3-5,7,9,11,19H2,1-2H3,(H,20,22)
InChIKeyJORTYVNQWAIQPD-UHFFFAOYSA-N
XLogP3.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide 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

N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119668428
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
1-(5-bromo-2-methoxyphenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 50850566
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide (CID 119668429) is N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide is CCCCC(CN)NC(=O)CCC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide?
The InChIKey is JORTYVNQWAIQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-3-4-5-13(11-19)20-17(22)9-7-15(21)14-10-12(18)6-8-16(14)23-2/h6,8,10,13H,3-5,7,9,11,19H2,1-2H3,(H,20,22).
What are the key properties of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide?
N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide has a molecular weight of 385.30 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 119668429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).