2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide

C12H18N2O3 — CID 115412594

IUPAC2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
SMILESCCOCCNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14-12(15)10-5-4-9(16-2)8-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyYGQLUFCFBVXWQW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.04
Rot. Bonds6

About 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide

2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide (PubChem CID 115412594) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
PubChem CID115412594
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
SMILESCCOCCNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14-12(15)10-5-4-9(16-2)8-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyYGQLUFCFBVXWQW-UHFFFAOYSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide (CID 115412594) is 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide is CCOCCNC(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide?
The InChIKey is YGQLUFCFBVXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-7-6-14-12(15)10-5-4-9(16-2)8-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide?
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide is sourced from PubChem (CID 115412594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).