N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide

C16H26N2O — CID 55259550

IUPACN-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide
SMILESCc1ccc(N)c(NC(=O)CC(C)C(C)(C)C)c1C
InChIInChI=1S/C16H26N2O/c1-10-7-8-13(17)15(12(10)3)18-14(19)9-11(2)16(4,5)6/h7-8,11H,9,17H2,1-6H3,(H,18,19)
InChIKeyXWTDPBDNAKTQHE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.90
Rot. Bonds3

About N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide

N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide (PubChem CID 55259550) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide
PubChem CID55259550
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide
SMILESCc1ccc(N)c(NC(=O)CC(C)C(C)(C)C)c1C
InChIInChI=1S/C16H26N2O/c1-10-7-8-13(17)15(12(10)3)18-14(19)9-11(2)16(4,5)6/h7-8,11H,9,17H2,1-6H3,(H,18,19)
InChIKeyXWTDPBDNAKTQHE-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.90
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-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
CID 107937406
N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205571
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 63832250
N-(2-carbamothioyl-3-methylphenyl)-3,4,4-trimethylpentanamide
CID 107805667
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
CID 43548116
2-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834812

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide (CID 55259550) is N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide is Cc1ccc(N)c(NC(=O)CC(C)C(C)(C)C)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide?
The InChIKey is XWTDPBDNAKTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-7-8-13(17)15(12(10)3)18-14(19)9-11(2)16(4,5)6/h7-8,11H,9,17H2,1-6H3,(H,18,19).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide?
N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 55259550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).