4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide

C16H26N2O — CID 115157370

IUPAC4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCc1ccc(C)c(CN(C)C(=O)CC(C)(C)CN)c1
InChIInChI=1S/C16H26N2O/c1-12-6-7-13(2)14(8-12)10-18(5)15(19)9-16(3,4)11-17/h6-8H,9-11,17H2,1-5H3
InChIKeyUWPJJEXBVOOKHT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide

4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 115157370) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID115157370
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCc1ccc(C)c(CN(C)C(=O)CC(C)(C)CN)c1
InChIInChI=1S/C16H26N2O/c1-12-6-7-13(2)14(8-12)10-18(5)15(19)9-16(3,4)11-17/h6-8H,9-11,17H2,1-5H3
InChIKeyUWPJJEXBVOOKHT-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372
N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142215
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxoacetate
CID 115142441
diethyl 2-[(2,5-dimethylphenyl)methyl]-2-methylpropanedioate
CID 103972624
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide (CID 115157370) is 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide is Cc1ccc(C)c(CN(C)C(=O)CC(C)(C)CN)c1.
What is the InChIKey of 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is UWPJJEXBVOOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-7-13(2)14(8-12)10-18(5)15(19)9-16(3,4)11-17/h6-8H,9-11,17H2,1-5H3.
What are the key properties of 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide?
4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 115157370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).