N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide

C19H27N3O3 — CID 72898945

IUPACN-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide
SMILESCCCC1COCCN1C(=O)Nc1cc(N2CCCC2=O)ccc1C
InChIInChI=1S/C19H27N3O3/c1-3-5-16-13-25-11-10-22(16)19(24)20-17-12-15(8-7-14(17)2)21-9-4-6-18(21)23/h7-8,12,16H,3-6,9-11,13H2,1-2H3,(H,20,24)
InChIKeyNKIXFAACGIBUBV-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.15
Rot. Bonds4

About N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide

N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide (PubChem CID 72898945) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide
PubChem CID72898945
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide
SMILESCCCC1COCCN1C(=O)Nc1cc(N2CCCC2=O)ccc1C
InChIInChI=1S/C19H27N3O3/c1-3-5-16-13-25-11-10-22(16)19(24)20-17-12-15(8-7-14(17)2)21-9-4-6-18(21)23/h7-8,12,16H,3-6,9-11,13H2,1-2H3,(H,20,24)
InChIKeyNKIXFAACGIBUBV-UHFFFAOYSA-N
XLogP3.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447943
(3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447942
formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 171686617
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 125163480
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
(3S)-4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125152657
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97444695
(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
CID 125169396
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide (CID 72898945) is N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide is CCCC1COCCN1C(=O)Nc1cc(N2CCCC2=O)ccc1C.
What is the InChIKey of N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide?
The InChIKey is NKIXFAACGIBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-5-16-13-25-11-10-22(16)19(24)20-17-12-15(8-7-14(17)2)21-9-4-6-18(21)23/h7-8,12,16H,3-6,9-11,13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide?
N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3-propylmorpholine-4-carboxamide is sourced from PubChem (CID 72898945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).