N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide

C18H22N2O4 — CID 54852788

IUPACN-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-9-10-24-15-6-4-5-13(11-15)18(21)20-16-8-7-14(19)12-17(16)22-2/h4-8,11-12H,3,9-10,19H2,1-2H3,(H,20,21)
InChIKeyTXTLQHJBDCYSFY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.94
Rot. Bonds8

About N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide

N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide (PubChem CID 54852788) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
PubChem CID54852788
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-9-10-24-15-6-4-5-13(11-15)18(21)20-16-8-7-14(19)12-17(16)22-2/h4-8,11-12H,3,9-10,19H2,1-2H3,(H,20,21)
InChIKeyTXTLQHJBDCYSFY-UHFFFAOYSA-N
XLogP2.94
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
N-(4-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 54852698
N-(2,5-dimethoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139561
N-(4-amino-2-methoxyphenyl)-2-(2-ethoxyethoxy)benzamide
CID 54852699
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide (CID 54852788) is N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide is CCOCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide?
The InChIKey is TXTLQHJBDCYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-9-10-24-15-6-4-5-13(11-15)18(21)20-16-8-7-14(19)12-17(16)22-2/h4-8,11-12H,3,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide?
N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 54852788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).