3-amino-N-(2,2-diethoxyethyl)benzamide

C13H20N2O3 — CID 79547967

IUPAC3-amino-N-(2,2-diethoxyethyl)benzamide
SMILESCCOC(CNC(=O)c1cccc(N)c1)OCC
InChIInChI=1S/C13H20N2O3/c1-3-17-12(18-4-2)9-15-13(16)10-6-5-7-11(14)8-10/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyCNUVAFFRHCCBGL-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.40
Rot. Bonds7

About 3-amino-N-(2,2-diethoxyethyl)benzamide

3-amino-N-(2,2-diethoxyethyl)benzamide (PubChem CID 79547967) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-(2,2-diethoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-diethoxyethyl)benzamide
PubChem CID79547967
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-(2,2-diethoxyethyl)benzamide
SMILESCCOC(CNC(=O)c1cccc(N)c1)OCC
InChIInChI=1S/C13H20N2O3/c1-3-17-12(18-4-2)9-15-13(16)10-6-5-7-11(14)8-10/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyCNUVAFFRHCCBGL-UHFFFAOYSA-N
XLogP1.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
CID 119813458
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119875581
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-diethoxyethyl)benzamide?
The IUPAC name of 3-amino-N-(2,2-diethoxyethyl)benzamide (CID 79547967) is 3-amino-N-(2,2-diethoxyethyl)benzamide.
What is the SMILES notation for 3-amino-N-(2,2-diethoxyethyl)benzamide?
The canonical SMILES for 3-amino-N-(2,2-diethoxyethyl)benzamide is CCOC(CNC(=O)c1cccc(N)c1)OCC.
What is the InChIKey of 3-amino-N-(2,2-diethoxyethyl)benzamide?
The InChIKey is CNUVAFFRHCCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-12(18-4-2)9-15-13(16)10-6-5-7-11(14)8-10/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2,2-diethoxyethyl)benzamide?
3-amino-N-(2,2-diethoxyethyl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-diethoxyethyl)benzamide is sourced from PubChem (CID 79547967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).