3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide

C17H20N2O2 — CID 81094810

IUPAC3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(15-8-6-5-7-9-15)17(20)13-10-14(18)12-16(11-13)21-4-2/h5-12H,3-4,18H2,1-2H3
InChIKeyXEAKIMDWNDUIQK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.33
Rot. Bonds5

About 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide

3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide (PubChem CID 81094810) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
PubChem CID81094810
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(15-8-6-5-7-9-15)17(20)13-10-14(18)12-16(11-13)21-4-2/h5-12H,3-4,18H2,1-2H3
InChIKeyXEAKIMDWNDUIQK-UHFFFAOYSA-N
XLogP3.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-amino-5-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 81093808
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81093317

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide (CID 81094810) is 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide is CCOc1cc(N)cc(C(=O)N(CC)c2ccccc2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide?
The InChIKey is XEAKIMDWNDUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(15-8-6-5-7-9-15)17(20)13-10-14(18)12-16(11-13)21-4-2/h5-12H,3-4,18H2,1-2H3.
What are the key properties of 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide?
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 81094810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).