3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide

C15H23ClN2O — CID 120501197

IUPAC3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
SMILESCC(N)C(C)C(=O)N(C)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-10(9-13-5-7-14(16)8-6-13)18(4)15(19)11(2)12(3)17/h5-8,10-12H,9,17H2,1-4H3
InChIKeyNHUQZXCHGAZMJG-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide

3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide (PubChem CID 120501197) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
PubChem CID120501197
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
SMILESCC(N)C(C)C(=O)N(C)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-10(9-13-5-7-14(16)8-6-13)18(4)15(19)11(2)12(3)17/h5-8,10-12H,9,17H2,1-4H3
InChIKeyNHUQZXCHGAZMJG-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
CID 56793654
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 56793619
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride
CID 119330280
1-(4-chlorophenyl)propan-2-amine
CID 3127
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
CID 99793411
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
CID 114081567
[1-amino-3-(4-chlorophenyl)propan-2-yl]-methylcarbamic acid
CID 146584607
2-amino-3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179376
4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide (CID 120501197) is 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide is CC(N)C(C)C(=O)N(C)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide?
The InChIKey is NHUQZXCHGAZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(9-13-5-7-14(16)8-6-13)18(4)15(19)11(2)12(3)17/h5-8,10-12H,9,17H2,1-4H3.
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide?
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide is sourced from PubChem (CID 120501197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).