2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide

C30H29NO3 — CID 17130212

IUPAC2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C30H29NO3/c1-23(34-29-18-14-26(15-19-29)25-12-6-3-7-13-25)30(32)31-27-16-20-28(21-17-27)33-22-8-11-24-9-4-2-5-10-24/h2-7,9-10,12-21,23H,8,11,22H2,1H3,(H,31,32)
InChIKeyXYBCKUSSJPDCNM-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.77
Rot. Bonds10

About 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide

2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide (PubChem CID 17130212) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
PubChem CID17130212
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC Name2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C30H29NO3/c1-23(34-29-18-14-26(15-19-29)25-12-6-3-7-13-25)30(32)31-27-16-20-28(21-17-27)33-22-8-11-24-9-4-2-5-10-24/h2-7,9-10,12-21,23H,8,11,22H2,1H3,(H,31,32)
InChIKeyXYBCKUSSJPDCNM-UHFFFAOYSA-N
XLogP6.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130174
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 94093464
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(4-phenylphenoxy)propanamide
CID 43915059
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide (CID 17130212) is 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
The InChIKey is XYBCKUSSJPDCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3/c1-23(34-29-18-14-26(15-19-29)25-12-6-3-7-13-25)30(32)31-27-16-20-28(21-17-27)33-22-8-11-24-9-4-2-5-10-24/h2-7,9-10,12-21,23H,8,11,22H2,1H3,(H,31,32).
What are the key properties of 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide has a molecular weight of 451.57 g/mol, XLogP of 6.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide is sourced from PubChem (CID 17130212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).