N-(3-aminophenyl)-4-methoxy-N-propylbenzamide

C17H20N2O2 — CID 63229900

IUPACN-(3-aminophenyl)-4-methoxy-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(OC)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-19(15-6-4-5-14(18)12-15)17(20)13-7-9-16(21-2)10-8-13/h4-10,12H,3,11,18H2,1-2H3
InChIKeyDEIUNELLUFWEPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.33
Rot. Bonds5

About N-(3-aminophenyl)-4-methoxy-N-propylbenzamide

N-(3-aminophenyl)-4-methoxy-N-propylbenzamide (PubChem CID 63229900) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-methoxy-N-propylbenzamide
PubChem CID63229900
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminophenyl)-4-methoxy-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(OC)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-19(15-6-4-5-14(18)12-15)17(20)13-7-9-16(21-2)10-8-13/h4-10,12H,3,11,18H2,1-2H3
InChIKeyDEIUNELLUFWEPG-UHFFFAOYSA-N
XLogP3.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.33
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

N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80643965
N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
CID 79095437
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-methoxy-N-propylbenzamide?
The IUPAC name of N-(3-aminophenyl)-4-methoxy-N-propylbenzamide (CID 63229900) is N-(3-aminophenyl)-4-methoxy-N-propylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-methoxy-N-propylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-4-methoxy-N-propylbenzamide is CCCN(C(=O)c1ccc(OC)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-methoxy-N-propylbenzamide?
The InChIKey is DEIUNELLUFWEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11-19(15-6-4-5-14(18)12-15)17(20)13-7-9-16(21-2)10-8-13/h4-10,12H,3,11,18H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-4-methoxy-N-propylbenzamide?
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 63229900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).