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

C15H24N2O — CID 114212732

IUPACN-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
SMILESCc1cc(NC(=O)CCC(C)(C)C)c(C)cc1N
InChIInChI=1S/C15H24N2O/c1-10-9-13(11(2)8-12(10)16)17-14(18)6-7-15(3,4)5/h8-9H,6-7,16H2,1-5H3,(H,17,18)
InChIKeyBJKVDIKMPMGOSP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.65
Rot. Bonds3

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

N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide (PubChem CID 114212732) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
PubChem CID114212732
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
SMILESCc1cc(NC(=O)CCC(C)(C)C)c(C)cc1N
InChIInChI=1S/C15H24N2O/c1-10-9-13(11(2)8-12(10)16)17-14(18)6-7-15(3,4)5/h8-9H,6-7,16H2,1-5H3,(H,17,18)
InChIKeyBJKVDIKMPMGOSP-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
CID 103144437
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(4-amino-2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 103144485
N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide
CID 114105109
N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646
N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 103144489
N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 103144554
N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 103144428
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide (CID 114212732) is N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide is Cc1cc(NC(=O)CCC(C)(C)C)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide?
The InChIKey is BJKVDIKMPMGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-9-13(11(2)8-12(10)16)17-14(18)6-7-15(3,4)5/h8-9H,6-7,16H2,1-5H3,(H,17,18).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide?
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 114212732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).