N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide

C17H28N2O — CID 63833207

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-6-19(12-14-8-7-9-15(18)11-14)16(20)10-13(2)17(3,4)5/h7-9,11,13H,6,10,12,18H2,1-5H3
InChIKeyAOZXOERYOTUHLB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide

N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide (PubChem CID 63833207) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
PubChem CID63833207
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-6-19(12-14-8-7-9-15(18)11-14)16(20)10-13(2)17(3,4)5/h7-9,11,13H,6,10,12,18H2,1-5H3
InChIKeyAOZXOERYOTUHLB-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-aminophenyl)methyl]-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-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79385637
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide (CID 63833207) is N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide is CCN(Cc1cccc(N)c1)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide?
The InChIKey is AOZXOERYOTUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-19(12-14-8-7-9-15(18)11-14)16(20)10-13(2)17(3,4)5/h7-9,11,13H,6,10,12,18H2,1-5H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide?
N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63833207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).