N-[3-(butanoylamino)phenyl]-4-methylbenzamide

C18H20N2O2 — CID 17187546

IUPACN-[3-(butanoylamino)phenyl]-4-methylbenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O2/c1-3-5-17(21)19-15-6-4-7-16(12-15)20-18(22)14-10-8-13(2)9-11-14/h4,6-12H,3,5H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQTRNRQGVDJGESE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.99
Rot. Bonds5

About N-[3-(butanoylamino)phenyl]-4-methylbenzamide

N-[3-(butanoylamino)phenyl]-4-methylbenzamide (PubChem CID 17187546) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-4-methylbenzamide
PubChem CID17187546
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[3-(butanoylamino)phenyl]-4-methylbenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O2/c1-3-5-17(21)19-15-6-4-7-16(12-15)20-18(22)14-10-8-13(2)9-11-14/h4,6-12H,3,5H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQTRNRQGVDJGESE-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-4-methylbenzamide (CID 17187546) is N-[3-(butanoylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-4-methylbenzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-4-methylbenzamide?
The InChIKey is QTRNRQGVDJGESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-5-17(21)19-15-6-4-7-16(12-15)20-18(22)14-10-8-13(2)9-11-14/h4,6-12H,3,5H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(butanoylamino)phenyl]-4-methylbenzamide?
N-[3-(butanoylamino)phenyl]-4-methylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 17187546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).