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

C15H25ClN2O2 — CID 119706806

IUPAC3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(COC)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-13(10-19-3)17-15(18)11(2)14(16)12-8-6-5-7-9-12;/h5-9,11,13-14H,4,10,16H2,1-3H3,(H,17,18);1H
InChIKeyNGRGYDWFNGRUBM-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.29
Rot. Bonds7

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

3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119706806) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119706806
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(COC)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-13(10-19-3)17-15(18)11(2)14(16)12-8-6-5-7-9-12;/h5-9,11,13-14H,4,10,16H2,1-3H3,(H,17,18);1H
InChIKeyNGRGYDWFNGRUBM-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
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CID 119706690
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
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3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
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3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
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N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119706806) is 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride is CCC(COC)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is NGRGYDWFNGRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-13(10-19-3)17-15(18)11(2)14(16)12-8-6-5-7-9-12;/h5-9,11,13-14H,4,10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119706806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).