N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide

C21H26N2O4 — CID 4035607

IUPACN-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
SMILESCCCC(C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-5-9-14(2)20(24)22-16-12-19(27-4)17(13-18(16)26-3)23-21(25)15-10-7-6-8-11-15/h6-8,10-14H,5,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQSEUIUYKRJPQNK-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.33
Rot. Bonds8

About N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide

N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide (PubChem CID 4035607) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
PubChem CID4035607
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
SMILESCCCC(C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-5-9-14(2)20(24)22-16-12-19(27-4)17(13-18(16)26-3)23-21(25)15-10-7-6-8-11-15/h6-8,10-14H,5,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQSEUIUYKRJPQNK-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 53266069
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
CID 4203137
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide (CID 4035607) is N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide is CCCC(C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide?
The InChIKey is QSEUIUYKRJPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-9-14(2)20(24)22-16-12-19(27-4)17(13-18(16)26-3)23-21(25)15-10-7-6-8-11-15/h6-8,10-14H,5,9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide?
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide is sourced from PubChem (CID 4035607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).