2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide

C20H27N3O3 — CID 127750561

IUPAC2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCC1CC1N1CC(NC(=O)N2CCOC(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C20H27N3O3/c1-14-9-18(14)23-12-16(11-19(23)24)21-20(25)22-7-8-26-17(13-22)10-15-5-3-2-4-6-15/h2-6,14,16-18H,7-13H2,1H3,(H,21,25)
InChIKeySCXYYMZJCJKWJB-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.65
Rot. Bonds4

About 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide

2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 127750561) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID127750561
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCC1CC1N1CC(NC(=O)N2CCOC(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C20H27N3O3/c1-14-9-18(14)23-12-16(11-19(23)24)21-20(25)22-7-8-26-17(13-22)10-15-5-3-2-4-6-15/h2-6,14,16-18H,7-13H2,1H3,(H,21,25)
InChIKeySCXYYMZJCJKWJB-UHFFFAOYSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 124616348
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
CID 124606255
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide (CID 127750561) is 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide is CC1CC1N1CC(NC(=O)N2CCOC(Cc3ccccc3)C2)CC1=O.
What is the InChIKey of 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is SCXYYMZJCJKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-9-18(14)23-12-16(11-19(23)24)21-20(25)22-7-8-26-17(13-22)10-15-5-3-2-4-6-15/h2-6,14,16-18H,7-13H2,1H3,(H,21,25).
What are the key properties of 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 127750561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).