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

C16H27ClN2O2 — CID 119665599

IUPACN-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(C)c1cccc(OC)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-5-8-14(11-17)18-16(19)12(2)13-7-6-9-15(10-13)20-3;/h6-7,9-10,12,14H,4-5,8,11,17H2,1-3H3,(H,18,19);1H
InChIKeyYFVLRQCXKWSVCX-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.85
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119665599) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
PubChem CID119665599
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(C)c1cccc(OC)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-5-8-14(11-17)18-16(19)12(2)13-7-6-9-15(10-13)20-3;/h6-7,9-10,12,14H,4-5,8,11,17H2,1-3H3,(H,18,19);1H
InChIKeyYFVLRQCXKWSVCX-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119664823
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119668575
N-(1-aminohexan-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119666253
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
(2S)-2-[2-(4-methoxyphenyl)propanoylamino]hexanoic acid
CID 120614449
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
CID 120507302
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
CID 119606161
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
butyl (2S)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]propanoate
CID 118859513
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride (CID 119665599) is N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride is CCCCC(CN)NC(=O)C(C)c1cccc(OC)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is YFVLRQCXKWSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-4-5-8-14(11-17)18-16(19)12(2)13-7-6-9-15(10-13)20-3;/h6-7,9-10,12,14H,4-5,8,11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.85, 8 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)-2-(3-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119665599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).