(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

C18H25N3O4 — CID 119072836

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O4/c1-24-16-7-3-2-5-14(16)13-19-18(23)21-8-4-6-15(21)17(22)20-9-11-25-12-10-20/h2-3,5,7,15H,4,6,8-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyHNNKERUSVAOKHK-HNNXBMFYSA-N
MW347.42 g/mol
LogP1.23
Rot. Bonds4

About (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 119072836) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
PubChem CID119072836
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O4/c1-24-16-7-3-2-5-14(16)13-19-18(23)21-8-4-6-15(21)17(22)20-9-11-25-12-10-20/h2-3,5,7,15H,4,6,8-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyHNNKERUSVAOKHK-HNNXBMFYSA-N
XLogP1.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95786679
N-(2-methoxyphenyl)-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 156608240
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 138044085
2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 51108813
1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 126441822
2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 73139173
2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468858
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide (CID 119072836) is (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide is COc1ccccc1CNC(=O)N1CCC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is HNNKERUSVAOKHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-16-7-3-2-5-14(16)13-19-18(23)21-8-4-6-15(21)17(22)20-9-11-25-12-10-20/h2-3,5,7,15H,4,6,8-13H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119072836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).