N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide

C17H20N2O4 — CID 54852579

IUPACN-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1
InChIInChI=1S/C17H20N2O4/c1-21-9-10-23-14-6-3-12(4-7-14)17(20)19-15-8-5-13(18)11-16(15)22-2/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyRNVVBICWKUFAJS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.55
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide

N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide (PubChem CID 54852579) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
PubChem CID54852579
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1
InChIInChI=1S/C17H20N2O4/c1-21-9-10-23-14-6-3-12(4-7-14)17(20)19-15-8-5-13(18)11-16(15)22-2/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyRNVVBICWKUFAJS-UHFFFAOYSA-N
XLogP2.55
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.55
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)-4-(2-ethoxyethoxy)benzamide
CID 54852698
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 54852788
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(5-amino-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 22291090
N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide
CID 91676031
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide (CID 54852579) is N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide?
The InChIKey is RNVVBICWKUFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-9-10-23-14-6-3-12(4-7-14)17(20)19-15-8-5-13(18)11-16(15)22-2/h3-8,11H,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide?
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide has a molecular weight of 316.36 g/mol, XLogP of 2.55, 7 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)-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 54852579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).