4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide

C15H24N2O — CID 115157531

IUPAC4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
SMILESCc1ccc(C)c(N(C)C(=O)CCC(C)(C)N)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-12(2)13(10-11)17(5)14(18)8-9-15(3,4)16/h6-7,10H,8-9,16H2,1-5H3
InChIKeyOGDUYBFSBSGTKP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds4

About 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide

4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide (PubChem CID 115157531) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
PubChem CID115157531
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
SMILESCc1ccc(C)c(N(C)C(=O)CCC(C)(C)N)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-12(2)13(10-11)17(5)14(18)8-9-15(3,4)16/h6-7,10H,8-9,16H2,1-5H3
InChIKeyOGDUYBFSBSGTKP-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
CID 115157554
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
N-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157553
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115154948
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide?
The IUPAC name of 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide (CID 115157531) is 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide.
What is the SMILES notation for 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide?
The canonical SMILES for 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide is Cc1ccc(C)c(N(C)C(=O)CCC(C)(C)N)c1.
What is the InChIKey of 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide?
The InChIKey is OGDUYBFSBSGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-12(2)13(10-11)17(5)14(18)8-9-15(3,4)16/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of 4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide?
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.78, 4 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)-N,4-dimethylpentanamide is sourced from PubChem (CID 115157531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).