N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide

C17H23N3O3 — CID 119717013

IUPACN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)C1COCCN1
InChIInChI=1S/C17H23N3O3/c21-16-5-2-7-20(16)11-14-4-1-3-13(9-14)10-19-17(22)15-12-23-8-6-18-15/h1,3-4,9,15,18H,2,5-8,10-12H2,(H,19,22)
InChIKeyCLQUZQWKGTWFBM-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.41
Rot. Bonds5

About N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide

N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119717013) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
PubChem CID119717013
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)C1COCCN1
InChIInChI=1S/C17H23N3O3/c21-16-5-2-7-20(16)11-14-4-1-3-13(9-14)10-19-17(22)15-12-23-8-6-18-15/h1,3-4,9,15,18H,2,5-8,10-12H2,(H,19,22)
InChIKeyCLQUZQWKGTWFBM-UHFFFAOYSA-N
XLogP0.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
3-amino-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717021
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119719720
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide (CID 119717013) is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide is O=C(NCc1cccc(CN2CCCC2=O)c1)C1COCCN1.
What is the InChIKey of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is CLQUZQWKGTWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16-5-2-7-20(16)11-14-4-1-3-13(9-14)10-19-17(22)15-12-23-8-6-18-15/h1,3-4,9,15,18H,2,5-8,10-12H2,(H,19,22).
What are the key properties of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119717013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).