(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide

C25H25F3N2O3 — CID 51959604

IUPAC(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2c1
InChIInChI=1S/C25H25F3N2O3/c1-16(17-3-4-19-14-21(32-2)7-5-18(19)13-17)24(31)29-23-8-6-20(15-22(23)25(26,27)28)30-9-11-33-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,29,31)/t16-/m1/s1
InChIKeySNTHQDZAMOWIKA-MRXNPFEDSA-N
MW458.48 g/mol
LogP5.45
Rot. Bonds5

About (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide

(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51959604) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide
PubChem CID51959604
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2c1
InChIInChI=1S/C25H25F3N2O3/c1-16(17-3-4-19-14-21(32-2)7-5-18(19)13-17)24(31)29-23-8-6-20(15-22(23)25(26,27)28)30-9-11-33-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,29,31)/t16-/m1/s1
InChIKeySNTHQDZAMOWIKA-MRXNPFEDSA-N
XLogP5.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
CID 55744621
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 39948414
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55744650
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 18150680
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55937981
(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55937759
propan-2-yl 2,4-dimethyl-5-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55864298

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide (CID 51959604) is (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide is COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2c1.
What is the InChIKey of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SNTHQDZAMOWIKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-16(17-3-4-19-14-21(32-2)7-5-18(19)13-17)24(31)29-23-8-6-20(15-22(23)25(26,27)28)30-9-11-33-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,29,31)/t16-/m1/s1.
What are the key properties of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 458.48 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51959604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).