N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide

C16H18N2O3 — CID 54852547

IUPACN-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-13-6-4-5-11(9-13)16(19)18-14-8-7-12(17)10-15(14)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyLHHKPYSRNWLBLV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.93
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide

N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide (PubChem CID 54852547) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
PubChem CID54852547
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-13-6-4-5-11(9-13)16(19)18-14-8-7-12(17)10-15(14)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyLHHKPYSRNWLBLV-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 54852788
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(2-amino-4-methylphenyl)-3-ethoxybenzamide
CID 56773265
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-(4-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 54852698
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide (CID 54852547) is N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide?
The InChIKey is LHHKPYSRNWLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-13-6-4-5-11(9-13)16(19)18-14-8-7-12(17)10-15(14)20-2/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide?
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide is sourced from PubChem (CID 54852547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).