2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide

C20H27N3O4 — CID 131894338

IUPAC2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O4/c1-14(2)18(24)21-16-6-3-5-15(13-16)19(25)23-8-4-7-17(23)20(26)22-9-11-27-12-10-22/h3,5-6,13-14,17H,4,7-12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyLGUWVJWABGUEGU-KRWDZBQOSA-N
MW373.45 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide

2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide (PubChem CID 131894338) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide
PubChem CID131894338
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O4/c1-14(2)18(24)21-16-6-3-5-15(13-16)19(25)23-8-4-7-17(23)20(26)22-9-11-27-12-10-22/h3,5-6,13-14,17H,4,7-12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyLGUWVJWABGUEGU-KRWDZBQOSA-N
XLogP1.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417
1-[3-(2-methylsulfonylpropanoylamino)benzoyl]piperidine-2-carboxylic acid
CID 119243514
methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781239
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
2-hydroxy-1-[(2S)-1-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 10875058
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide (CID 131894338) is 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide?
The InChIKey is LGUWVJWABGUEGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(2)18(24)21-16-6-3-5-15(13-16)19(25)23-8-4-7-17(23)20(26)22-9-11-27-12-10-22/h3,5-6,13-14,17H,4,7-12H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide?
2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 131894338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).