N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide

C24H25N3O3 — CID 54826536

IUPACN-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-23(28)26-19-11-13-20(14-12-19)27-24(29)16-25-21-9-6-10-22(15-21)30-17-18-7-4-3-5-8-18/h3-15,25H,2,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyHCQILKZPSUCOLS-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.66
Rot. Bonds9

About N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide

N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54826536) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54826536
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-23(28)26-19-11-13-20(14-12-19)27-24(29)16-25-21-9-6-10-22(15-21)30-17-18-7-4-3-5-8-18/h3-15,25H,2,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyHCQILKZPSUCOLS-UHFFFAOYSA-N
XLogP4.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54827051
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide (CID 54826536) is N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is HCQILKZPSUCOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-23(28)26-19-11-13-20(14-12-19)27-24(29)16-25-21-9-6-10-22(15-21)30-17-18-7-4-3-5-8-18/h3-15,25H,2,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 403.48 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54826536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).