3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride

C17H29ClN2O2 — CID 119795706

IUPAC3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCCCC(COC)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-5-11-15(12-21-3)19-17(20)13(2)16(18)14-9-7-6-8-10-14;/h6-10,13,15-16H,4-5,11-12,18H2,1-3H3,(H,19,20);1H
InChIKeyYVZKUBWRPYEIHD-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.07
Rot. Bonds9

About 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119795706) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119795706
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCCCC(COC)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-5-11-15(12-21-3)19-17(20)13(2)16(18)14-9-7-6-8-10-14;/h6-10,13,15-16H,4-5,11-12,18H2,1-3H3,(H,19,20);1H
InChIKeyYVZKUBWRPYEIHD-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
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3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
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3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
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3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119795706) is 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride is CCCCC(COC)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is YVZKUBWRPYEIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-4-5-11-15(12-21-3)19-17(20)13(2)16(18)14-9-7-6-8-10-14;/h6-10,13,15-16H,4-5,11-12,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119795706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).