N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide

C21H26N2O3 — CID 2210417

IUPACN-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-5-6-7-20(24)23-18-9-8-17(13-19(18)26-4)22-21(25)16-11-14(2)10-15(3)12-16/h8-13H,5-7H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyVSVBPYKPXSLYTQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.69
Rot. Bonds7

About N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide

N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide (PubChem CID 2210417) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
PubChem CID2210417
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-5-6-7-20(24)23-18-9-8-17(13-19(18)26-4)22-21(25)16-11-14(2)10-15(3)12-16/h8-13H,5-7H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyVSVBPYKPXSLYTQ-UHFFFAOYSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 3776414
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
2,3,5,6-tetrafluoro-4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 17115591

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide (CID 2210417) is N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide is CCCCC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide?
The InChIKey is VSVBPYKPXSLYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-6-7-20(24)23-18-9-8-17(13-19(18)26-4)22-21(25)16-11-14(2)10-15(3)12-16/h8-13H,5-7H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide?
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 2210417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).