(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide

C18H26N2O3 — CID 100692030

IUPAC(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C[C@@H]2CC[C@H](C)O2)cc1
InChIInChI=1S/C18H26N2O3/c1-13-5-8-16(23-13)12-20-11-3-4-17(20)18(21)19-14-6-9-15(22-2)10-7-14/h6-7,9-10,13,16-17H,3-5,8,11-12H2,1-2H3,(H,19,21)/t13-,16-,17-/m0/s1
InChIKeyLLMLSHYMLNQKDC-JQFCIGGWSA-N
MW318.42 g/mol
LogP2.67
Rot. Bonds5

About (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 100692030) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID100692030
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C[C@@H]2CC[C@H](C)O2)cc1
InChIInChI=1S/C18H26N2O3/c1-13-5-8-16(23-13)12-20-11-3-4-17(20)18(21)19-14-6-9-15(22-2)10-7-14/h6-7,9-10,13,16-17H,3-5,8,11-12H2,1-2H3,(H,19,21)/t13-,16-,17-/m0/s1
InChIKeyLLMLSHYMLNQKDC-JQFCIGGWSA-N
XLogP2.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
1-(1,3-benzothiazol-2-ylmethyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 47055497
(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 51964562
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide
CID 139020635
(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 94588861
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
(2S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 72887571

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 100692030) is (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C[C@@H]2CC[C@H](C)O2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LLMLSHYMLNQKDC-JQFCIGGWSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-5-8-16(23-13)12-20-11-3-4-17(20)18(21)19-14-6-9-15(22-2)10-7-14/h6-7,9-10,13,16-17H,3-5,8,11-12H2,1-2H3,(H,19,21)/t13-,16-,17-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100692030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).