N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride

C16H27ClN2O2 — CID 119668074

IUPACN-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCc1cccc(OC)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-4-7-14(12-17)18-16(19)10-9-13-6-5-8-15(11-13)20-2;/h5-6,8,11,14H,3-4,7,9-10,12,17H2,1-2H3,(H,18,19);1H
InChIKeyRHSPRXVEEDESGG-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.68
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119668074) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
PubChem CID119668074
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCc1cccc(OC)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-4-7-14(12-17)18-16(19)10-9-13-6-5-8-15(11-13)20-2;/h5-6,8,11,14H,3-4,7,9-10,12,17H2,1-2H3,(H,18,19);1H
InChIKeyRHSPRXVEEDESGG-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
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CID 65191439
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119665599
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
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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-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
N-(1-aminohexan-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119666253
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
CID 10365607

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride (CID 119668074) is N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride is CCCCC(CN)NC(=O)CCc1cccc(OC)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is RHSPRXVEEDESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-4-7-14(12-17)18-16(19)10-9-13-6-5-8-15(11-13)20-2;/h5-6,8,11,14H,3-4,7,9-10,12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).