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

C17H26BrClN2O3 — CID 119668428

IUPACN-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCC(=O)c1cc(Br)ccc1OC.Cl
InChIInChI=1S/C17H25BrN2O3.ClH/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);1H
InChIKeyFTANSDGPNKUZIJ-UHFFFAOYSA-N
MW421.76 g/mol
LogP3.48
Rot. Bonds10

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

N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119668428) has the molecular formula C17H26BrClN2O3 and a molecular weight of 421.76 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
PubChem CID119668428
Molecular FormulaC17H26BrClN2O3
Molecular Weight421.76 g/mol
Exact Mass420.08
IUPAC NameN-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCC(=O)c1cc(Br)ccc1OC.Cl
InChIInChI=1S/C17H25BrN2O3.ClH/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);1H
InChIKeyFTANSDGPNKUZIJ-UHFFFAOYSA-N
XLogP3.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.76
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide
CID 119668429
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)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
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-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride (CID 119668428) is N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride is CCCCC(CN)NC(=O)CCC(=O)c1cc(Br)ccc1OC.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is FTANSDGPNKUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3.ClH/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);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 421.76 g/mol, XLogP of 3.48, 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;hydrochloride is sourced from PubChem (CID 119668428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).