2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide

C20H24N2O4 — CID 21229671

IUPAC2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C20H24N2O4/c1-4-5-12-18(23)21-14-8-6-9-15(13-14)22-20(24)19-16(25-2)10-7-11-17(19)26-3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHEHZJGJCGNHJRN-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.08
Rot. Bonds8

About 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide

2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide (PubChem CID 21229671) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
PubChem CID21229671
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C20H24N2O4/c1-4-5-12-18(23)21-14-8-6-9-15(13-14)22-20(24)19-16(25-2)10-7-11-17(19)26-3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHEHZJGJCGNHJRN-UHFFFAOYSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-(3-methoxyphenyl)-4-(pentanoylamino)benzamide
CID 3622603
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
N-[3-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907967
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
N-[4-(2-methoxyanilino)phenyl]pentanamide
CID 112987324
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide (CID 21229671) is 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide is CCCCC(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide?
The InChIKey is HEHZJGJCGNHJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-5-12-18(23)21-14-8-6-9-15(13-14)22-20(24)19-16(25-2)10-7-11-17(19)26-3/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide?
2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide is sourced from PubChem (CID 21229671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).