N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide

C18H19NO2 — CID 888424

IUPACN-[3-(3,4-dimethylbenzoyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H19NO2/c1-4-17(20)19-16-7-5-6-14(11-16)18(21)15-9-8-12(2)13(3)10-15/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyZCJXXJDCBAIUTD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.88
Rot. Bonds4

About N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide

N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide (PubChem CID 888424) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylbenzoyl)phenyl]propanamide
PubChem CID888424
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[3-(3,4-dimethylbenzoyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H19NO2/c1-4-17(20)19-16-7-5-6-14(11-16)18(21)15-9-8-12(2)13(3)10-15/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyZCJXXJDCBAIUTD-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide?
The IUPAC name of N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide (CID 888424) is N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide?
The canonical SMILES for N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide?
The InChIKey is ZCJXXJDCBAIUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-17(20)19-16-7-5-6-14(11-16)18(21)15-9-8-12(2)13(3)10-15/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide?
N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide has a molecular weight of 281.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide is sourced from PubChem (CID 888424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).