2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide

C32H32N2O4 — CID 4940214

IUPAC2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
SMILESCC(Oc1ccccc1)C(=O)N(CCN(C(=O)C(C)Oc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O4/c1-25(37-29-19-11-5-12-20-29)31(35)33(27-15-7-3-8-16-27)23-24-34(28-17-9-4-10-18-28)32(36)26(2)38-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
InChIKeyILTJKJJIVBWBKE-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.99
Rot. Bonds11

About 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide

2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide (PubChem CID 4940214) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
PubChem CID4940214
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
SMILESCC(Oc1ccccc1)C(=O)N(CCN(C(=O)C(C)Oc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O4/c1-25(37-29-19-11-5-12-20-29)31(35)33(27-15-7-3-8-16-27)23-24-34(28-17-9-4-10-18-28)32(36)26(2)38-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
InChIKeyILTJKJJIVBWBKE-UHFFFAOYSA-N
XLogP5.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
CID 4943546
4-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 8608037
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
2-methyl-N-(2-phenoxyethyl)-N-phenylpropanamide
CID 141139388
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
CID 78852544
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide
CID 51930010
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 55889470
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-phenylpropanamide
CID 18100568

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide?
The IUPAC name of 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide (CID 4940214) is 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide.
What is the SMILES notation for 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide?
The canonical SMILES for 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide is CC(Oc1ccccc1)C(=O)N(CCN(C(=O)C(C)Oc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide?
The InChIKey is ILTJKJJIVBWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-25(37-29-19-11-5-12-20-29)31(35)33(27-15-7-3-8-16-27)23-24-34(28-17-9-4-10-18-28)32(36)26(2)38-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3.
What are the key properties of 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide?
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide has a molecular weight of 508.62 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide is sourced from PubChem (CID 4940214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).