N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C27H35N3O4 — CID 43053344

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)N2CCOCC2)cc1
InChIInChI=1S/C27H35N3O4/c1-19(2)21-5-4-6-23(15-21)30-18-22(16-26(30)31)27(32)28-17-25(29-11-13-34-14-12-29)20-7-9-24(33-3)10-8-20/h4-10,15,19,22,25H,11-14,16-18H2,1-3H3,(H,28,32)
InChIKeyJBVXQAXNMSCIQA-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 43053344) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID43053344
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)N2CCOCC2)cc1
InChIInChI=1S/C27H35N3O4/c1-19(2)21-5-4-6-23(15-21)30-18-22(16-26(30)31)27(32)28-17-25(29-11-13-34-14-12-29)20-7-9-24(33-3)10-8-20/h4-10,15,19,22,25H,11-14,16-18H2,1-3H3,(H,28,32)
InChIKeyJBVXQAXNMSCIQA-UHFFFAOYSA-N
XLogP3.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 4878243
(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 26918447
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55606164
1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 43060252
1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55559888
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573087
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 43053344) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is COc1ccc(C(CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JBVXQAXNMSCIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-19(2)21-5-4-6-23(15-21)30-18-22(16-26(30)31)27(32)28-17-25(29-11-13-34-14-12-29)20-7-9-24(33-3)10-8-20/h4-10,15,19,22,25H,11-14,16-18H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43053344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).