Benzamide, N-(4-amino-2,5-diethoxyphenyl)-

C17H20N2O3 — CID 67108

IUPACN-(4-amino-2,5-diethoxyphenyl)benzamide
SMILESCCOC1=CC(=C(C=C1N)OCC)NC(=O)C2=CC=CC=C2
InChIInChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyCNXZLZNEIYFZGU-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.80
Rot. Bonds6

About Benzamide, N-(4-amino-2,5-diethoxyphenyl)-

Benzamide, N-(4-amino-2,5-diethoxyphenyl)- (PubChem CID 67108) has the molecular formula C17H20N2O3 and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4-amino-2,5-diethoxyphenyl)benzamide.

Molecular Properties

Compound NameBenzamide, N-(4-amino-2,5-diethoxyphenyl)-
PubChem CID67108
Molecular FormulaC17H20N2O3
Molecular Weight300.35 g/mol
Exact Mass300.15
IUPAC NameN-(4-amino-2,5-diethoxyphenyl)benzamide
SMILESCCOC1=CC(=C(C=C1N)OCC)NC(=O)C2=CC=CC=C2
InChIInChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyCNXZLZNEIYFZGU-UHFFFAOYSA-N
XLogP2.80
TPSA73.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity345

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 8426
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
P-Tolu-M-anisidide
CID 3977580
N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
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Fast Blue RR
CID 93116

Frequently Asked Questions

What is the IUPAC name of Benzamide, N-(4-amino-2,5-diethoxyphenyl)-?
The IUPAC name of Benzamide, N-(4-amino-2,5-diethoxyphenyl)- (CID 67108) is N-(4-amino-2,5-diethoxyphenyl)benzamide.
What is the SMILES notation for Benzamide, N-(4-amino-2,5-diethoxyphenyl)-?
The canonical SMILES for Benzamide, N-(4-amino-2,5-diethoxyphenyl)- is CCOC1=CC(=C(C=C1N)OCC)NC(=O)C2=CC=CC=C2.
What is the InChIKey of Benzamide, N-(4-amino-2,5-diethoxyphenyl)-?
The InChIKey is CNXZLZNEIYFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of Benzamide, N-(4-amino-2,5-diethoxyphenyl)-?
Benzamide, N-(4-amino-2,5-diethoxyphenyl)- has a molecular weight of 300.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Benzamide, N-(4-amino-2,5-diethoxyphenyl)- is sourced from PubChem (CID 67108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).