3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide

C17H28N2O — CID 64685652

IUPAC3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)N
InChIInChI=1S/C17H28N2O/c1-16(2,3)14-9-7-13(8-10-14)12-19(6)15(20)11-17(4,5)18/h7-10H,11-12,18H2,1-6H3
InChIKeySQCGOQZSHUTYPS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.07
Rot. Bonds4

About 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide

3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 64685652) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID64685652
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)N
InChIInChI=1S/C17H28N2O/c1-16(2,3)14-9-7-13(8-10-14)12-19(6)15(20)11-17(4,5)18/h7-10H,11-12,18H2,1-6H3
InChIKeySQCGOQZSHUTYPS-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(4-tert-butylphenyl)methyl]-3-cyano-N-methylpropanamide
CID 94692251
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide (CID 64685652) is 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is SQCGOQZSHUTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2,3)14-9-7-13(8-10-14)12-19(6)15(20)11-17(4,5)18/h7-10H,11-12,18H2,1-6H3.
What are the key properties of 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide?
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 64685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).