3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride

C16H27ClN2O — CID 119440969

IUPAC3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
SMILESCNCc1cccc(NC(=O)CC(C)C(C)(C)C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(16(2,3)4)9-15(19)18-14-8-6-7-13(10-14)11-17-5;/h6-8,10,12,17H,9,11H2,1-5H3,(H,18,19);1H
InChIKeyOTHXNUWHGAKCGC-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.84
Rot. Bonds5

About 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride

3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride (PubChem CID 119440969) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
PubChem CID119440969
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
SMILESCNCc1cccc(NC(=O)CC(C)C(C)(C)C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(16(2,3)4)9-15(19)18-14-8-6-7-13(10-14)11-17-5;/h6-8,10,12,17H,9,11H2,1-5H3,(H,18,19);1H
InChIKeyOTHXNUWHGAKCGC-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
3-methyl-2-[[[3-(methylaminomethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65223578
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
CID 63821825
N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride (CID 119440969) is 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride is CNCc1cccc(NC(=O)CC(C)C(C)(C)C)c1.Cl.
What is the InChIKey of 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is OTHXNUWHGAKCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12(16(2,3)4)9-15(19)18-14-8-6-7-13(10-14)11-17-5;/h6-8,10,12,17H,9,11H2,1-5H3,(H,18,19);1H.
What are the key properties of 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride?
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119440969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).