2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride

C17H29ClN2O — CID 119681995

IUPAC2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-6-11-17(4,18)16(20)19(5)12-14-7-9-15(10-8-14)13(2)3;/h7-10,13H,6,11-12,18H2,1-5H3;1H
InChIKeyLQQDKXLCVCQQJQ-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.71
Rot. Bonds6

About 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride

2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119681995) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119681995
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-6-11-17(4,18)16(20)19(5)12-14-7-9-15(10-8-14)13(2)3;/h7-10,13H,6,11-12,18H2,1-5H3;1H
InChIKeyLQQDKXLCVCQQJQ-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 54868960
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
CID 119822111
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride (CID 119681995) is 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)Cc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is LQQDKXLCVCQQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-6-11-17(4,18)16(20)19(5)12-14-7-9-15(10-8-14)13(2)3;/h7-10,13H,6,11-12,18H2,1-5H3;1H.
What are the key properties of 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride?
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119681995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).