N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C17H29ClN2O — CID 119724674

IUPACN-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(CC(C)(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(12-18-5)16(20)19-15(11-17(2,3)4)14-9-7-6-8-10-14;/h6-10,13,15,18H,11-12H2,1-5H3,(H,19,20);1H
InChIKeyNJMLXJVLWRCQDO-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.56
Rot. Bonds6

About N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119724674) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119724674
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(CC(C)(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(12-18-5)16(20)19-15(11-17(2,3)4)14-9-7-6-8-10-14;/h6-10,13,15,18H,11-12H2,1-5H3,(H,19,20);1H
InChIKeyNJMLXJVLWRCQDO-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
CID 99815635
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119724674) is N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(CC(C)(C)C)c1ccccc1.Cl.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is NJMLXJVLWRCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-13(12-18-5)16(20)19-15(11-17(2,3)4)14-9-7-6-8-10-14;/h6-10,13,15,18H,11-12H2,1-5H3,(H,19,20);1H.
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119724674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).