N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide

C25H26N2O3 — CID 2187605

IUPACN-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-3-12-24(28)26-21-8-7-9-22(17-21)27-25(29)20-15-13-19(14-16-20)18-30-23-10-5-4-6-11-23/h4-11,13-17H,2-3,12,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyFGZLSPBLKCJBQM-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.65
Rot. Bonds9

About N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide

N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide (PubChem CID 2187605) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
PubChem CID2187605
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-3-12-24(28)26-21-8-7-9-22(17-21)27-25(29)20-15-13-19(14-16-20)18-30-23-10-5-4-6-11-23/h4-11,13-17H,2-3,12,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyFGZLSPBLKCJBQM-UHFFFAOYSA-N
XLogP5.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
N-(3-methoxyphenyl)-4-(pentanoylamino)benzamide
CID 3622603
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536

Frequently Asked Questions

What is the IUPAC name of N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide (CID 2187605) is N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide is CCCCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide?
The InChIKey is FGZLSPBLKCJBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-3-12-24(28)26-21-8-7-9-22(17-21)27-25(29)20-15-13-19(14-16-20)18-30-23-10-5-4-6-11-23/h4-11,13-17H,2-3,12,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide?
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 2187605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).