3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride

C16H27ClN2O — CID 119805929

IUPAC3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12-6-8-14(9-7-12)16(3,4)11-18(5)15(19)10-13(2)17;/h6-9,13H,10-11,17H2,1-5H3;1H
InChIKeyUWQLJOAWKSSFLO-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.89
Rot. Bonds5

About 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride

3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride (PubChem CID 119805929) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
PubChem CID119805929
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12-6-8-14(9-7-12)16(3,4)11-18(5)15(19)10-13(2)17;/h6-9,13H,10-11,17H2,1-5H3;1H
InChIKeyUWQLJOAWKSSFLO-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 119945788
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119805915
5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 120636434
N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119336291
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 119653380
3-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119722332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride (CID 119805929) is 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride is Cc1ccc(C(C)(C)CN(C)C(=O)CC(C)N)cc1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
The InChIKey is UWQLJOAWKSSFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12-6-8-14(9-7-12)16(3,4)11-18(5)15(19)10-13(2)17;/h6-9,13H,10-11,17H2,1-5H3;1H.
What are the key properties of 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride?
3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119805929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).