N-(4-aminophenyl)-3,4-diethoxybenzamide

C17H20N2O3 — CID 16776636

IUPACN-(4-aminophenyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1OCC
InChIInChI=1S/C17H20N2O3/c1-3-21-15-10-5-12(11-16(15)22-4-2)17(20)19-14-8-6-13(18)7-9-14/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeySQGKQHDDMQBXCP-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.32
Rot. Bonds6

About N-(4-aminophenyl)-3,4-diethoxybenzamide

N-(4-aminophenyl)-3,4-diethoxybenzamide (PubChem CID 16776636) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,4-diethoxybenzamide
PubChem CID16776636
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(4-aminophenyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1OCC
InChIInChI=1S/C17H20N2O3/c1-3-21-15-10-5-12(11-16(15)22-4-2)17(20)19-14-8-6-13(18)7-9-14/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeySQGKQHDDMQBXCP-UHFFFAOYSA-N
XLogP3.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)-3,4-diethoxybenzamide 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

3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55551961
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(4-aminophenyl)-3,4-diethoxybenzamide (CID 16776636) is N-(4-aminophenyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(4-aminophenyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1OCC.
What is the InChIKey of N-(4-aminophenyl)-3,4-diethoxybenzamide?
The InChIKey is SQGKQHDDMQBXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-21-15-10-5-12(11-16(15)22-4-2)17(20)19-14-8-6-13(18)7-9-14/h5-11H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-3,4-diethoxybenzamide?
N-(4-aminophenyl)-3,4-diethoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,4-diethoxybenzamide is sourced from PubChem (CID 16776636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).