4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide

C14H21ClN2O — CID 115157372

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)CN
InChIInChI=1S/C14H21ClN2O/c1-14(2,10-16)8-13(18)17(3)9-11-4-6-12(15)7-5-11/h4-7H,8-10,16H2,1-3H3
InChIKeyRAWHIAXCOKAVBO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.67
Rot. Bonds5

About 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide

4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 115157372) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID115157372
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)CN
InChIInChI=1S/C14H21ClN2O/c1-14(2,10-16)8-13(18)17(3)9-11-4-6-12(15)7-5-11/h4-7H,8-10,16H2,1-3H3
InChIKeyRAWHIAXCOKAVBO-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 115432066
N-(3-amino-2,2-dimethylpropyl)-3-(4-chlorophenyl)-N-methylpropanamide;hydrochloride
CID 119653075
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60939022
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157370
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide (CID 115157372) is 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide is CN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)CN.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is RAWHIAXCOKAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,10-16)8-13(18)17(3)9-11-4-6-12(15)7-5-11/h4-7H,8-10,16H2,1-3H3.
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide?
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 115157372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).