ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate

C23H33N3O5 — CID 23847756

IUPACethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
SMILESCCCNC(=O)C1C(C)C(C(=O)OCC)C(c2ccccc2)N1C(=O)N1CCOCC1
InChIInChI=1S/C23H33N3O5/c1-4-11-24-21(27)19-16(3)18(22(28)31-5-2)20(17-9-7-6-8-10-17)26(19)23(29)25-12-14-30-15-13-25/h6-10,16,18-20H,4-5,11-15H2,1-3H3,(H,24,27)
InChIKeyXHNBZPMBYQSUDB-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate

ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate (PubChem CID 23847756) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
PubChem CID23847756
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nameethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
SMILESCCCNC(=O)C1C(C)C(C(=O)OCC)C(c2ccccc2)N1C(=O)N1CCOCC1
InChIInChI=1S/C23H33N3O5/c1-4-11-24-21(27)19-16(3)18(22(28)31-5-2)20(17-9-7-6-8-10-17)26(19)23(29)25-12-14-30-15-13-25/h6-10,16,18-20H,4-5,11-15H2,1-3H3,(H,24,27)
InChIKeyXHNBZPMBYQSUDB-UHFFFAOYSA-N
XLogP2.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate
CID 23739541
methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate
CID 23741153
ethyl 1-(3-cyclopentylpropanoyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-4-methyl-2-phenylpyrrolidine-3-carboxylate
CID 23737411
methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
CID 23905057
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23989745
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
ethyl 4-[[4-methoxycarbonyl-3,5-diphenyl-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 23989361
N-propylmorpholine-4-carboxamide
CID 3410822
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate (CID 23847756) is ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate is CCCNC(=O)C1C(C)C(C(=O)OCC)C(c2ccccc2)N1C(=O)N1CCOCC1.
What is the InChIKey of ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
The InChIKey is XHNBZPMBYQSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-4-11-24-21(27)19-16(3)18(22(28)31-5-2)20(17-9-7-6-8-10-17)26(19)23(29)25-12-14-30-15-13-25/h6-10,16,18-20H,4-5,11-15H2,1-3H3,(H,24,27).
What are the key properties of ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate has a molecular weight of 431.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 23847756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).