N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide

C18H20N2O3 — CID 2985570

IUPACN-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-17(21)19-14-8-6-13(7-9-14)18(22)20-15-11-12(2)5-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyULHIQWDYKXTMLR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.60
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide

N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide (PubChem CID 2985570) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
PubChem CID2985570
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-17(21)19-14-8-6-13(7-9-14)18(22)20-15-11-12(2)5-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyULHIQWDYKXTMLR-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
CID 134025426
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 82179481
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
CID 31699354

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide (CID 2985570) is N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide?
The InChIKey is ULHIQWDYKXTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-17(21)19-14-8-6-13(7-9-14)18(22)20-15-11-12(2)5-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide?
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 2985570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).