(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C24H28N2O3 — CID 100566912

IUPAC(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1N1CCCC1=O
InChIInChI=1S/C24H28N2O3/c1-16-9-11-20(15-22(16)26-13-5-8-23(26)27)25-24(28)17(2)29-21-12-10-18-6-3-4-7-19(18)14-21/h9-12,14-15,17H,3-8,13H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyBZWQPUFLLISCMM-QGZVFWFLSA-N
MW392.50 g/mol
LogP4.41
Rot. Bonds5

About (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100566912) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100566912
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1N1CCCC1=O
InChIInChI=1S/C24H28N2O3/c1-16-9-11-20(15-22(16)26-13-5-8-23(26)27)25-24(28)17(2)29-21-12-10-18-6-3-4-7-19(18)14-21/h9-12,14-15,17H,3-8,13H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyBZWQPUFLLISCMM-QGZVFWFLSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160545
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55692123
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
2-(2,4-difluorophenoxy)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 131949527
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100566912) is (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1N1CCCC1=O.
What is the InChIKey of (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is BZWQPUFLLISCMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-9-11-20(15-22(16)26-13-5-8-23(26)27)25-24(28)17(2)29-21-12-10-18-6-3-4-7-19(18)14-21/h9-12,14-15,17H,3-8,13H2,1-2H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 392.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100566912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).