2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride

C16H27ClN2O2 — CID 119695698

IUPAC2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-9-16(3,17)15(19)18(4)10-11-20-14-8-6-7-13(2)12-14;/h6-8,12H,5,9-11,17H2,1-4H3;1H
InChIKeyRWEKVUHYMIEJRV-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.77
Rot. Bonds7

About 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride

2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride (PubChem CID 119695698) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
PubChem CID119695698
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-9-16(3,17)15(19)18(4)10-11-20-14-8-6-7-13(2)12-14;/h6-8,12H,5,9-11,17H2,1-4H3;1H
InChIKeyRWEKVUHYMIEJRV-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride (CID 119695698) is 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)CCOc1cccc(C)c1.Cl.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride?
The InChIKey is RWEKVUHYMIEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-5-9-16(3,17)15(19)18(4)10-11-20-14-8-6-7-13(2)12-14;/h6-8,12H,5,9-11,17H2,1-4H3;1H.
What are the key properties of 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride?
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119695698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).