3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

C19H27N3O3 — CID 95621032

IUPAC3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESC[C@H](CN1CCCC1=O)NC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H27N3O3/c1-15(13-22-7-3-6-18(22)23)20-19(24)17-5-2-4-16(12-17)14-21-8-10-25-11-9-21/h2,4-5,12,15H,3,6-11,13-14H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyFYYOHBHIRVLPAX-OAHLLOKOSA-N
MW345.44 g/mol
LogP1.26
Rot. Bonds6

About 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (PubChem CID 95621032) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
PubChem CID95621032
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESC[C@H](CN1CCCC1=O)NC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H27N3O3/c1-15(13-22-7-3-6-18(22)23)20-19(24)17-5-2-4-16(12-17)14-21-8-10-25-11-9-21/h2,4-5,12,15H,3,6-11,13-14H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyFYYOHBHIRVLPAX-OAHLLOKOSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9258728
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (CID 95621032) is 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is C[C@H](CN1CCCC1=O)NC(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The InChIKey is FYYOHBHIRVLPAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(13-22-7-3-6-18(22)23)20-19(24)17-5-2-4-16(12-17)14-21-8-10-25-11-9-21/h2,4-5,12,15H,3,6-11,13-14H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 95621032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).