(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide

C32H32N2O4 — CID 2253744

IUPAC(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
SMILESCc1cc(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3)c(C)c2)ccc1NC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C32H32N2O4/c1-21-19-25(15-17-29(21)33-31(35)23(3)37-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)34-32(36)24(4)38-28-13-9-6-10-14-28/h5-20,23-24H,1-4H3,(H,33,35)(H,34,36)/t23-,24-/m0/s1
InChIKeyKUHULWQTDBRCJF-ZEQRLZLVSA-N
MW508.62 g/mol
LogP6.78
Rot. Bonds9

About (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide

(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide (PubChem CID 2253744) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
PubChem CID2253744
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
SMILESCc1cc(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3)c(C)c2)ccc1NC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C32H32N2O4/c1-21-19-25(15-17-29(21)33-31(35)23(3)37-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)34-32(36)24(4)38-28-13-9-6-10-14-28/h5-20,23-24H,1-4H3,(H,33,35)(H,34,36)/t23-,24-/m0/s1
InChIKeyKUHULWQTDBRCJF-ZEQRLZLVSA-N
XLogP6.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
CID 2925600
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide (CID 2253744) is (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide is Cc1cc(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3)c(C)c2)ccc1NC(=O)[C@H](C)Oc1ccccc1.
What is the InChIKey of (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide?
The InChIKey is KUHULWQTDBRCJF-ZEQRLZLVSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-21-19-25(15-17-29(21)33-31(35)23(3)37-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)34-32(36)24(4)38-28-13-9-6-10-14-28/h5-20,23-24H,1-4H3,(H,33,35)(H,34,36)/t23-,24-/m0/s1.
What are the key properties of (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide?
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide has a molecular weight of 508.62 g/mol, XLogP of 6.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 2253744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).