(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide

C34H36FNO3 — CID 41064795

IUPAC(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
SMILESCOc1ccccc1[C@@H](CCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C34H36FNO3/c1-24(2)39-29-19-15-26(16-20-29)30(31-11-7-8-12-33(31)38-3)21-22-36-34(37)23-32(25-9-5-4-6-10-25)27-13-17-28(35)18-14-27/h4-20,24,30,32H,21-23H2,1-3H3,(H,36,37)/t30-,32+/m0/s1
InChIKeyNDEIWUUWDHLPJN-XDFJSJKPSA-N
MW525.66 g/mol
LogP7.48
Rot. Bonds12

About (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide

(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide (PubChem CID 41064795) has the molecular formula C34H36FNO3 and a molecular weight of 525.66 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
PubChem CID41064795
Molecular FormulaC34H36FNO3
Molecular Weight525.66 g/mol
Exact Mass525.27
IUPAC Name(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
SMILESCOc1ccccc1[C@@H](CCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C34H36FNO3/c1-24(2)39-29-19-15-26(16-20-29)30(31-11-7-8-12-33(31)38-3)21-22-36-34(37)23-32(25-9-5-4-6-10-25)27-13-17-28(35)18-14-27/h4-20,24,30,32H,21-23H2,1-3H3,(H,36,37)/t30-,32+/m0/s1
InChIKeyNDEIWUUWDHLPJN-XDFJSJKPSA-N
XLogP7.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 2965324
(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 40838358
(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 7618737
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828269
N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828267
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide (CID 41064795) is (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide is COc1ccccc1[C@@H](CCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide?
The InChIKey is NDEIWUUWDHLPJN-XDFJSJKPSA-N. The full InChI is InChI=1S/C34H36FNO3/c1-24(2)39-29-19-15-26(16-20-29)30(31-11-7-8-12-33(31)38-3)21-22-36-34(37)23-32(25-9-5-4-6-10-25)27-13-17-28(35)18-14-27/h4-20,24,30,32H,21-23H2,1-3H3,(H,36,37)/t30-,32+/m0/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide?
(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide has a molecular weight of 525.66 g/mol, XLogP of 7.48, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 41064795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).