N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

C14H23N3O — CID 43295413

IUPACN-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-11(2)9-17(3)10-14(18)16-13-7-5-12(15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyKHNZUTPZPRXDDT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.19
Rot. Bonds6

About N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (PubChem CID 43295413) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
PubChem CID43295413
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-11(2)9-17(3)10-14(18)16-13-7-5-12(15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyKHNZUTPZPRXDDT-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide 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)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide
CID 96540406
N-(4-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (CID 43295413) is N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is CCC(C)CN(C)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The InChIKey is KHNZUTPZPRXDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11(2)9-17(3)10-14(18)16-13-7-5-12(15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide has a molecular weight of 249.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is sourced from PubChem (CID 43295413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).