2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide

C19H27N3O3 — CID 95980648

IUPAC2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1ccccc1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c1-15-4-2-3-5-16(15)12-18(23)20-17-13-19(24)22(14-17)7-6-21-8-10-25-11-9-21/h2-5,17H,6-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyWIIHVEIGFAVIIW-KRWDZBQOSA-N
MW345.44 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide

2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 95980648) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID95980648
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1ccccc1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c1-15-4-2-3-5-16(15)12-18(23)20-17-13-19(24)22(14-17)7-6-21-8-10-25-11-9-21/h2-5,17H,6-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyWIIHVEIGFAVIIW-KRWDZBQOSA-N
XLogP0.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide (CID 95980648) is 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide is Cc1ccccc1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is WIIHVEIGFAVIIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-4-2-3-5-16(15)12-18(23)20-17-13-19(24)22(14-17)7-6-21-8-10-25-11-9-21/h2-5,17H,6-14H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 95980648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).