N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide

C18H20N2O3 — CID 976622

IUPACN-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)10-17(22)19-14-8-6-13(7-9-14)18(23)20-15-4-3-5-16(21)11-15/h3-9,11-12,21H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWNWZDVZZFOOOOC-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.63
Rot. Bonds5

About N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide

N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide (PubChem CID 976622) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide
PubChem CID976622
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)10-17(22)19-14-8-6-13(7-9-14)18(23)20-15-4-3-5-16(21)11-15/h3-9,11-12,21H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWNWZDVZZFOOOOC-UHFFFAOYSA-N
XLogP3.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide (CID 976622) is N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide?
The InChIKey is WNWZDVZZFOOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)10-17(22)19-14-8-6-13(7-9-14)18(23)20-15-4-3-5-16(21)11-15/h3-9,11-12,21H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide?
N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 976622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).