N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide

C16H26N2O — CID 63834801

IUPACN-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide
SMILESCCN(C(=O)CC(C)C(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-6-18(14-9-7-13(17)8-10-14)15(19)11-12(2)16(3,4)5/h7-10,12H,6,11,17H2,1-5H3
InChIKeyVIVLDZABUWSWDI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.69
Rot. Bonds4

About N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide

N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide (PubChem CID 63834801) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide
PubChem CID63834801
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide
SMILESCCN(C(=O)CC(C)C(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-6-18(14-9-7-13(17)8-10-14)15(19)11-12(2)16(3,4)5/h7-10,12H,6,11,17H2,1-5H3
InChIKeyVIVLDZABUWSWDI-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
CID 63832151
N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
CID 63833207
N-(4-aminophenyl)-N-ethyl-2-methylhexanamide
CID 114245932
5-amino-2-[methyl(3,4,4-trimethylpentanoyl)amino]benzoic acid
CID 63833561
N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 63234126
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
N-(5-amino-2-pyridinyl)-N-ethyl-3-methylbutanamide
CID 115268124
[5-(4-bromo-N-ethylanilino)-2-methyl-5-oxopentan-2-yl] carbamate
CID 174614423
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
N-(1-aminopropan-2-yl)-N,3,4,4-tetramethylpentanamide
CID 115737332
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide (CID 63834801) is N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide is CCN(C(=O)CC(C)C(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide?
The InChIKey is VIVLDZABUWSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-18(14-9-7-13(17)8-10-14)15(19)11-12(2)16(3,4)5/h7-10,12H,6,11,17H2,1-5H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide?
N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).