2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride

C16H27ClN2O2 — CID 119714373

IUPAC2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C(N)C(C)CC)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-10-20-14-8-6-13(7-9-14)11-18-16(19)15(17)12(3)5-2;/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19);1H
InChIKeyVQFASWNQMQJTQA-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.89
Rot. Bonds8

About 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119714373) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
PubChem CID119714373
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C(N)C(C)CC)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-10-20-14-8-6-13(7-9-14)11-18-16(19)15(17)12(3)5-2;/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19);1H
InChIKeyVQFASWNQMQJTQA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713159
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride (CID 119714373) is 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride is CCCOc1ccc(CNC(=O)C(N)C(C)CC)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is VQFASWNQMQJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-4-10-20-14-8-6-13(7-9-14)11-18-16(19)15(17)12(3)5-2;/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).