methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate

C28H33N3O5 — CID 23741153

IUPACmethyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)C(C(=O)NCC2CC2)N(C(=O)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C28H33N3O5/c1-35-27(33)23-22(20-8-4-2-5-9-20)25(26(32)29-18-19-12-13-19)31(24(23)21-10-6-3-7-11-21)28(34)30-14-16-36-17-15-30/h2-11,19,22-25H,12-18H2,1H3,(H,29,32)
InChIKeyFLUWYJHYCJSTFR-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.96
Rot. Bonds6

About methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate

methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate (PubChem CID 23741153) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate
PubChem CID23741153
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC Namemethyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)C(C(=O)NCC2CC2)N(C(=O)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C28H33N3O5/c1-35-27(33)23-22(20-8-4-2-5-9-20)25(26(32)29-18-19-12-13-19)31(24(23)21-10-6-3-7-11-21)28(34)30-14-16-36-17-15-30/h2-11,19,22-25H,12-18H2,1H3,(H,29,32)
InChIKeyFLUWYJHYCJSTFR-UHFFFAOYSA-N
XLogP2.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(benzenesulfonyl)-5-(cyclopropylmethylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate
CID 23850457
ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate
CID 23739541
ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
CID 23847756
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23989745
methyl 1-(3,3-dimethylbutanoyl)-2,4-diphenyl-5-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylate
CID 23911878
ethyl 4-[[4-methoxycarbonyl-3,5-diphenyl-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 23989361
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23798945
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
methyl 2-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-[(4-methylphenyl)methylcarbamoyl]-4-phenylpyrrolidine-3-carboxylate
CID 23877803
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate (CID 23741153) is methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate is COC(=O)C1C(c2ccccc2)C(C(=O)NCC2CC2)N(C(=O)N2CCOCC2)C1c1ccccc1.
What is the InChIKey of methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate?
The InChIKey is FLUWYJHYCJSTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-35-27(33)23-22(20-8-4-2-5-9-20)25(26(32)29-18-19-12-13-19)31(24(23)21-10-6-3-7-11-21)28(34)30-14-16-36-17-15-30/h2-11,19,22-25H,12-18H2,1H3,(H,29,32).
What are the key properties of methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate?
methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate has a molecular weight of 491.59 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 23741153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).