3-amino-4-ethylbenzamide

C9H12N2O — CID 19977641

IUPAC3-amino-4-ethylbenzamide
SMILESCCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H12N2O/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2,10H2,1H3,(H2,11,12)
InChIKeySOELZVGFGQKARQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.93
Rot. Bonds2

About 3-amino-4-ethylbenzamide

3-amino-4-ethylbenzamide (PubChem CID 19977641) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-amino-4-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethylbenzamide
PubChem CID19977641
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-amino-4-ethylbenzamide
SMILESCCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H12N2O/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2,10H2,1H3,(H2,11,12)
InChIKeySOELZVGFGQKARQ-UHFFFAOYSA-N
XLogP0.93
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-(methylsulfinylmethyl)benzamide
CID 61289265
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
3-amino-4-(butan-2-ylsulfanylmethyl)benzamide
CID 43377238
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-(tert-butylsulfonylmethyl)benzamide
CID 43382306
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
CID 43587416
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylbenzamide?
The IUPAC name of 3-amino-4-ethylbenzamide (CID 19977641) is 3-amino-4-ethylbenzamide.
What is the SMILES notation for 3-amino-4-ethylbenzamide?
The canonical SMILES for 3-amino-4-ethylbenzamide is CCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-ethylbenzamide?
The InChIKey is SOELZVGFGQKARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2,10H2,1H3,(H2,11,12).
What are the key properties of 3-amino-4-ethylbenzamide?
3-amino-4-ethylbenzamide has a molecular weight of 164.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylbenzamide is sourced from PubChem (CID 19977641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).