3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide

C13H19ClN2O — CID 64685066

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)N
InChIInChI=1S/C13H19ClN2O/c1-13(2,15)8-12(17)16(3)9-10-5-4-6-11(14)7-10/h4-7H,8-9,15H2,1-3H3
InChIKeyZWXUERFMTKYYOI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide

3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 64685066) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID64685066
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)N
InChIInChI=1S/C13H19ClN2O/c1-13(2,15)8-12(17)16(3)9-10-5-4-6-11(14)7-10/h4-7H,8-9,15H2,1-3H3
InChIKeyZWXUERFMTKYYOI-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302188
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide (CID 64685066) is 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide is CN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is ZWXUERFMTKYYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,15)8-12(17)16(3)9-10-5-4-6-11(14)7-10/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 254.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 64685066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).