N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide

C20H20N2O4 — CID 70857142

IUPACN-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide
SMILESCC(=O)CNC(=O)c1ccc(-c2ccc(C(=O)NCC(C)=O)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-13(23)11-21-19(25)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20(26)22-12-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyITALRMUNSLUIEZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.99
Rot. Bonds7

About N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide

N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide (PubChem CID 70857142) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide
PubChem CID70857142
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide
SMILESCC(=O)CNC(=O)c1ccc(-c2ccc(C(=O)NCC(C)=O)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-13(23)11-21-19(25)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20(26)22-12-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyITALRMUNSLUIEZ-UHFFFAOYSA-N
XLogP1.99
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane
CID 144699304
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
CID 18156676
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide (CID 70857142) is N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide is CC(=O)CNC(=O)c1ccc(-c2ccc(C(=O)NCC(C)=O)cc2)cc1.
What is the InChIKey of N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide?
The InChIKey is ITALRMUNSLUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(23)11-21-19(25)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20(26)22-12-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide?
N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 70857142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).