2-amino-N-ethyl-4-methoxy-N-phenylbenzamide

C16H18N2O2 — CID 115412453

IUPAC2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1N)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-3-18(12-7-5-4-6-8-12)16(19)14-10-9-13(20-2)11-15(14)17/h4-11H,3,17H2,1-2H3
InChIKeyZXWVIHHUKPPZIK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide

2-amino-N-ethyl-4-methoxy-N-phenylbenzamide (PubChem CID 115412453) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
PubChem CID115412453
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1N)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-3-18(12-7-5-4-6-8-12)16(19)14-10-9-13(20-2)11-15(14)17/h4-11H,3,17H2,1-2H3
InChIKeyZXWVIHHUKPPZIK-UHFFFAOYSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.94
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

2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 107733285
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
[2-(N-ethylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531067
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide?
The IUPAC name of 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide (CID 115412453) is 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide?
The canonical SMILES for 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide is CCN(C(=O)c1ccc(OC)cc1N)c1ccccc1.
What is the InChIKey of 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide?
The InChIKey is ZXWVIHHUKPPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-18(12-7-5-4-6-8-12)16(19)14-10-9-13(20-2)11-15(14)17/h4-11H,3,17H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide?
2-amino-N-ethyl-4-methoxy-N-phenylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 115412453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).