N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide

C25H26N2O4 — CID 4929653

IUPACN-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C(CC)Oc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-3-23(31-20-10-6-5-7-11-20)25(29)27-22-13-9-8-12-21(22)24(28)26-18-14-16-19(17-15-18)30-4-2/h5-17,23H,3-4H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMDCWASQGZYEVSI-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.13
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide

N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide (PubChem CID 4929653) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
PubChem CID4929653
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C(CC)Oc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-3-23(31-20-10-6-5-7-11-20)25(29)27-22-13-9-8-12-21(22)24(28)26-18-14-16-19(17-15-18)30-4-2/h5-17,23H,3-4H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMDCWASQGZYEVSI-UHFFFAOYSA-N
XLogP5.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide 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

N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
CID 42426923
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide (CID 4929653) is N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(CC)Oc2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide?
The InChIKey is MDCWASQGZYEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-23(31-20-10-6-5-7-11-20)25(29)27-22-13-9-8-12-21(22)24(28)26-18-14-16-19(17-15-18)30-4-2/h5-17,23H,3-4H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide?
N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide has a molecular weight of 418.49 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide is sourced from PubChem (CID 4929653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).