3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide

C32H33N3O3 — CID 54826779

IUPAC3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C32H33N3O3/c36-31(21-20-26-13-5-2-6-14-26)34-27-16-9-17-28(23-27)35-32(37)24-33-29-18-7-8-19-30(29)38-22-10-15-25-11-3-1-4-12-25/h1-9,11-14,16-19,23,33H,10,15,20-22,24H2,(H,34,36)(H,35,37)
InChIKeySOTILCBRHRHLDC-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.32
Rot. Bonds13

About 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide

3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54826779) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54826779
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C32H33N3O3/c36-31(21-20-26-13-5-2-6-14-26)34-27-16-9-17-28(23-27)35-32(37)24-33-29-18-7-8-19-30(29)38-22-10-15-25-11-3-1-4-12-25/h1-9,11-14,16-19,23,33H,10,15,20-22,24H2,(H,34,36)(H,35,37)
InChIKeySOTILCBRHRHLDC-UHFFFAOYSA-N
XLogP6.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54826954
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826893
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
3-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54827048

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54826779) is 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is SOTILCBRHRHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c36-31(21-20-26-13-5-2-6-14-26)34-27-16-9-17-28(23-27)35-32(37)24-33-29-18-7-8-19-30(29)38-22-10-15-25-11-3-1-4-12-25/h1-9,11-14,16-19,23,33H,10,15,20-22,24H2,(H,34,36)(H,35,37).
What are the key properties of 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 507.63 g/mol, XLogP of 6.32, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54826779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).