(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide

C24H24N2O4 — CID 30685077

IUPAC(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1
InChIInChI=1S/C24H24N2O4/c1-17(27)25-23(18-8-12-20(29-2)13-9-18)16-24(28)26-19-10-14-22(15-11-19)30-21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3,(H,25,27)(H,26,28)/t23-/m1/s1
InChIKeyPUUCIQLVGPIQPH-HSZRJFAPSA-N
MW404.47 g/mol
LogP4.69
Rot. Bonds8

About (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide

(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 30685077) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
PubChem CID30685077
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1
InChIInChI=1S/C24H24N2O4/c1-17(27)25-23(18-8-12-20(29-2)13-9-18)16-24(28)26-19-10-14-22(15-11-19)30-21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3,(H,25,27)(H,26,28)/t23-/m1/s1
InChIKeyPUUCIQLVGPIQPH-HSZRJFAPSA-N
XLogP4.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502651
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380350

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide (CID 30685077) is (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is PUUCIQLVGPIQPH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(27)25-23(18-8-12-20(29-2)13-9-18)16-24(28)26-19-10-14-22(15-11-19)30-21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3,(H,25,27)(H,26,28)/t23-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 30685077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).