4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride

C16H27ClN2O — CID 120562633

IUPAC4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)C(c1ccccc1)C(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)16(14-8-6-5-7-9-14)18(4)15(19)11-10-13(3)17;/h5-9,12-13,16H,10-11,17H2,1-4H3;1H
InChIKeyUGOKMCRMZQRHEV-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.39
Rot. Bonds6

About 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride

4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride (PubChem CID 120562633) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
PubChem CID120562633
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)C(c1ccccc1)C(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)16(14-8-6-5-7-9-14)18(4)15(19)11-10-13(3)17;/h5-9,12-13,16H,10-11,17H2,1-4H3;1H
InChIKeyUGOKMCRMZQRHEV-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 99703947
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride
CID 120564311
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide;hydrochloride
CID 120563544
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
CID 161285414
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride (CID 120562633) is 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride is CC(N)CCC(=O)N(C)C(c1ccccc1)C(C)C.Cl.
What is the InChIKey of 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride?
The InChIKey is UGOKMCRMZQRHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12(2)16(14-8-6-5-7-9-14)18(4)15(19)11-10-13(3)17;/h5-9,12-13,16H,10-11,17H2,1-4H3;1H.
What are the key properties of 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride?
4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride is sourced from PubChem (CID 120562633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).