3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide

C20H24N2O3 — CID 118761816

IUPAC3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide
SMILESCNC(=O)CCCNC(=O)c1cccc(-c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-13-10-17(11-14(2)19(13)24)15-6-4-7-16(12-15)20(25)22-9-5-8-18(23)21-3/h4,6-7,10-12,24H,5,8-9H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyUJTMUMWCRFJRBS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.93
Rot. Bonds6

About 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide

3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide (PubChem CID 118761816) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide
PubChem CID118761816
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide
SMILESCNC(=O)CCCNC(=O)c1cccc(-c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-13-10-17(11-14(2)19(13)24)15-6-4-7-16(12-15)20(25)22-9-5-8-18(23)21-3/h4,6-7,10-12,24H,5,8-9H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyUJTMUMWCRFJRBS-UHFFFAOYSA-N
XLogP2.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide?
The IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide (CID 118761816) is 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide is CNC(=O)CCCNC(=O)c1cccc(-c2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide?
The InChIKey is UJTMUMWCRFJRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-10-17(11-14(2)19(13)24)15-6-4-7-16(12-15)20(25)22-9-5-8-18(23)21-3/h4,6-7,10-12,24H,5,8-9H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide?
3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 118761816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).