N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide

C17H21N3O — CID 63233645

IUPACN-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
SMILESCCN(C(=O)c1cccc(N(C)C)c1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-4-20(15-10-8-14(18)9-11-15)17(21)13-6-5-7-16(12-13)19(2)3/h5-12H,4,18H2,1-3H3
InChIKeyCQFDPMKAHLCARU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.00
Rot. Bonds4

About N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide

N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide (PubChem CID 63233645) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
PubChem CID63233645
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
SMILESCCN(C(=O)c1cccc(N(C)C)c1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-4-20(15-10-8-14(18)9-11-15)17(21)13-6-5-7-16(12-13)19(2)3/h5-12H,4,18H2,1-3H3
InChIKeyCQFDPMKAHLCARU-UHFFFAOYSA-N
XLogP3.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
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)-3-(dimethylamino)-N-ethylbenzamide 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

4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
CID 59836650
N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
CID 55186275
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63234213

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide?
The IUPAC name of N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide (CID 63233645) is N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide is CCN(C(=O)c1cccc(N(C)C)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide?
The InChIKey is CQFDPMKAHLCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-20(15-10-8-14(18)9-11-15)17(21)13-6-5-7-16(12-13)19(2)3/h5-12H,4,18H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide?
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide is sourced from PubChem (CID 63233645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).