(3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide

C29H24F3N3O3 — CID 44523849

IUPAC(3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cccc([C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2OC)Nc2ccc(C#N)c3ccccc23)c1
InChIInChI=1S/C29H24F3N3O3/c1-37-21-7-5-6-18(14-21)25(34-24-12-10-19(17-33)22-8-3-4-9-23(22)24)16-28(36)35-26-15-20(29(30,31)32)11-13-27(26)38-2/h3-15,25,34H,16H2,1-2H3,(H,35,36)/t25-/m1/s1
InChIKeyUMKJNWNBJJYRGE-RUZDIDTESA-N
MW519.52 g/mol
LogP6.93
Rot. Bonds8

About (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide

(3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 44523849) has the molecular formula C29H24F3N3O3 and a molecular weight of 519.52 g/mol. Its IUPAC name is (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID44523849
Molecular FormulaC29H24F3N3O3
Molecular Weight519.52 g/mol
Exact Mass519.18
IUPAC Name(3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cccc([C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2OC)Nc2ccc(C#N)c3ccccc23)c1
InChIInChI=1S/C29H24F3N3O3/c1-37-21-7-5-6-18(14-21)25(34-24-12-10-19(17-33)22-8-3-4-9-23(22)24)16-28(36)35-26-15-20(29(30,31)32)11-13-27(26)38-2/h3-15,25,34H,16H2,1-2H3,(H,35,36)/t25-/m1/s1
InChIKeyUMKJNWNBJJYRGE-RUZDIDTESA-N
XLogP6.93
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide
CID 166322824
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 26918034
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
CID 43331039
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide (CID 44523849) is (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide is COc1cccc([C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2OC)Nc2ccc(C#N)c3ccccc23)c1.
What is the InChIKey of (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UMKJNWNBJJYRGE-RUZDIDTESA-N. The full InChI is InChI=1S/C29H24F3N3O3/c1-37-21-7-5-6-18(14-21)25(34-24-12-10-19(17-33)22-8-3-4-9-23(22)24)16-28(36)35-26-15-20(29(30,31)32)11-13-27(26)38-2/h3-15,25,34H,16H2,1-2H3,(H,35,36)/t25-/m1/s1.
What are the key properties of (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
(3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 519.52 g/mol, XLogP of 6.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-cyanonaphthalen-1-yl)amino]-3-(3-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 44523849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).