N-(6-methyl-2,5-dioxoheptyl)benzamide

C15H19NO3 — CID 171414098

IUPACN-(6-methyl-2,5-dioxoheptyl)benzamide
SMILESCC(C)C(=O)CCC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)14(18)9-8-13(17)10-16-15(19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyGZURJNWZKRSRBZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds7

About N-(6-methyl-2,5-dioxoheptyl)benzamide

N-(6-methyl-2,5-dioxoheptyl)benzamide (PubChem CID 171414098) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(6-methyl-2,5-dioxoheptyl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-2,5-dioxoheptyl)benzamide
PubChem CID171414098
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(6-methyl-2,5-dioxoheptyl)benzamide
SMILESCC(C)C(=O)CCC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)14(18)9-8-13(17)10-16-15(19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyGZURJNWZKRSRBZ-UHFFFAOYSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
(2R)-2-(2-benzamidoacetyl)sulfanylpropanoic acid
CID 2733148
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996
N-ethylbenzamide
CID 160772566
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
N-ethylbenzamide;hydrochloride
CID 57444995
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,5-dioxoheptyl)benzamide?
The IUPAC name of N-(6-methyl-2,5-dioxoheptyl)benzamide (CID 171414098) is N-(6-methyl-2,5-dioxoheptyl)benzamide.
What is the SMILES notation for N-(6-methyl-2,5-dioxoheptyl)benzamide?
The canonical SMILES for N-(6-methyl-2,5-dioxoheptyl)benzamide is CC(C)C(=O)CCC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-(6-methyl-2,5-dioxoheptyl)benzamide?
The InChIKey is GZURJNWZKRSRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)14(18)9-8-13(17)10-16-15(19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-(6-methyl-2,5-dioxoheptyl)benzamide?
N-(6-methyl-2,5-dioxoheptyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,5-dioxoheptyl)benzamide is sourced from PubChem (CID 171414098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).