N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide

C24H24N2O3 — CID 17235402

IUPACN-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-22(29-21-11-7-8-17(2)16-21)24(28)26-20-14-12-19(13-15-20)25-23(27)18-9-5-4-6-10-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGOEHENUIIROAGC-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.04
Rot. Bonds7

About N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide

N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide (PubChem CID 17235402) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
PubChem CID17235402
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-22(29-21-11-7-8-17(2)16-21)24(28)26-20-14-12-19(13-15-20)25-23(27)18-9-5-4-6-10-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGOEHENUIIROAGC-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089
3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877810
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 99954912

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
The IUPAC name of N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide (CID 17235402) is N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
The InChIKey is GOEHENUIIROAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-22(29-21-11-7-8-17(2)16-21)24(28)26-20-14-12-19(13-15-20)25-23(27)18-9-5-4-6-10-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).