N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide

C17H18N2O4 — CID 25255327

IUPACN-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2cccc(O)c2)ccc1OC
InChIInChI=1S/C17H18N2O4/c1-3-16(21)19-14-9-11(7-8-15(14)23-2)17(22)18-12-5-4-6-13(20)10-12/h4-10,20H,3H2,1-2H3,(H,18,22)(H,19,21)
InChIKeySRUMXIWKHFDGCJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.00
Rot. Bonds5

About N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide

N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide (PubChem CID 25255327) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide
PubChem CID25255327
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2cccc(O)c2)ccc1OC
InChIInChI=1S/C17H18N2O4/c1-3-16(21)19-14-9-11(7-8-15(14)23-2)17(22)18-12-5-4-6-13(20)10-12/h4-10,20H,3H2,1-2H3,(H,18,22)(H,19,21)
InChIKeySRUMXIWKHFDGCJ-UHFFFAOYSA-N
XLogP3.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide
CID 56944157
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide
CID 58360072
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
3-bromo-N-[(3-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 4939163
3-[(3-acetylphenyl)carbamothioylamino]-4-methoxy-N-phenylbenzamide
CID 54111046
3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid
CID 54445185
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide (CID 25255327) is N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide is CCC(=O)Nc1cc(C(=O)Nc2cccc(O)c2)ccc1OC.
What is the InChIKey of N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide?
The InChIKey is SRUMXIWKHFDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-16(21)19-14-9-11(7-8-15(14)23-2)17(22)18-12-5-4-6-13(20)10-12/h4-10,20H,3H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide?
N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide has a molecular weight of 314.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide is sourced from PubChem (CID 25255327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).