2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide

C25H26N2O3 — CID 17222894

IUPAC2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-23(30-22-14-7-4-8-15-22)25(29)27-21-13-9-12-20(18-21)26-24(28)17-16-19-10-5-3-6-11-19/h3-15,18,23H,2,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyBPDZAJXXZIMENZ-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.05
Rot. Bonds9

About 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide

2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide (PubChem CID 17222894) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
PubChem CID17222894
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-23(30-22-14-7-4-8-15-22)25(29)27-21-13-9-12-20(18-21)26-24(28)17-16-19-10-5-3-6-11-19/h3-15,18,23H,2,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyBPDZAJXXZIMENZ-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
The IUPAC name of 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide (CID 17222894) is 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
The InChIKey is BPDZAJXXZIMENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-23(30-22-14-7-4-8-15-22)25(29)27-21-13-9-12-20(18-21)26-24(28)17-16-19-10-5-3-6-11-19/h3-15,18,23H,2,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide has a molecular weight of 402.49 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 17222894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).