2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid

C20H24N2O4 — CID 22033742

IUPAC2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid
SMILESCCCNc1cccc(COc2ccc(NC(=O)CC)c(C(=O)O)c2)c1
InChIInChI=1S/C20H24N2O4/c1-3-10-21-15-7-5-6-14(11-15)13-26-16-8-9-18(22-19(23)4-2)17(12-16)20(24)25/h5-9,11-12,21H,3-4,10,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRPAFXFCJCMWUNV-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.13
Rot. Bonds9

About 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid

2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid (PubChem CID 22033742) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid
PubChem CID22033742
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid
SMILESCCCNc1cccc(COc2ccc(NC(=O)CC)c(C(=O)O)c2)c1
InChIInChI=1S/C20H24N2O4/c1-3-10-21-15-7-5-6-14(11-15)13-26-16-8-9-18(22-19(23)4-2)17(12-16)20(24)25/h5-9,11-12,21H,3-4,10,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRPAFXFCJCMWUNV-UHFFFAOYSA-N
XLogP4.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 24994059
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 24994056
5-[[3-chloro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 67175154
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
2-[[2-[4-[4-[(3-benzamidophenyl)methoxy]phenoxy]phenyl]acetyl]amino]benzoic acid
CID 22484939
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
methyl 3-[3-[(4-acetyl-3-fluorophenoxy)methyl]anilino]-3-oxopropanoate
CID 13477625
4-[3-(propanoylamino)phenoxy]phthalic acid
CID 9320972
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid?
The IUPAC name of 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid (CID 22033742) is 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid?
The canonical SMILES for 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid is CCCNc1cccc(COc2ccc(NC(=O)CC)c(C(=O)O)c2)c1.
What is the InChIKey of 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid?
The InChIKey is RPAFXFCJCMWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-10-21-15-7-5-6-14(11-15)13-26-16-8-9-18(22-19(23)4-2)17(12-16)20(24)25/h5-9,11-12,21H,3-4,10,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid?
2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid has a molecular weight of 356.42 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 22033742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).