5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide

C19H22N2O4 — CID 118414833

IUPAC5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C19H22N2O4/c1-11(2)25-17-9-14-12(8-15(17)19(20)23)4-3-5-16(14)24-10-13-6-7-18(22)21-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H2,20,23)(H,21,22)/t13-/m0/s1
InChIKeyMWORYDURXNENTP-ZDUSSCGKSA-N
MW342.40 g/mol
LogP2.38
Rot. Bonds6

About 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide

5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide (PubChem CID 118414833) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide
PubChem CID118414833
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C19H22N2O4/c1-11(2)25-17-9-14-12(8-15(17)19(20)23)4-3-5-16(14)24-10-13-6-7-18(22)21-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H2,20,23)(H,21,22)/t13-/m0/s1
InChIKeyMWORYDURXNENTP-ZDUSSCGKSA-N
XLogP2.38
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide?
The IUPAC name of 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide (CID 118414833) is 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide.
What is the SMILES notation for 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide?
The canonical SMILES for 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide is CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O.
What is the InChIKey of 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide?
The InChIKey is MWORYDURXNENTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11(2)25-17-9-14-12(8-15(17)19(20)23)4-3-5-16(14)24-10-13-6-7-18(22)21-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H2,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide?
5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-3-propan-2-yloxynaphthalene-2-carboxamide is sourced from PubChem (CID 118414833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).