N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H35N3O5 — CID 55382996

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCC(c2ccc(OC)c(OC)c2)N2CCOCC2)CC1=O
InChIInChI=1S/C27H35N3O5/c1-4-19-7-5-6-8-22(19)30-18-21(16-26(30)31)27(32)28-17-23(29-11-13-35-14-12-29)20-9-10-24(33-2)25(15-20)34-3/h5-10,15,21,23H,4,11-14,16-18H2,1-3H3,(H,28,32)
InChIKeyLYWVWCRQGMPFDS-UHFFFAOYSA-N
MW481.59 g/mol
LogP2.81
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55382996) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55382996
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCC(c2ccc(OC)c(OC)c2)N2CCOCC2)CC1=O
InChIInChI=1S/C27H35N3O5/c1-4-19-7-5-6-8-22(19)30-18-21(16-26(30)31)27(32)28-17-23(29-11-13-35-14-12-29)20-9-10-24(33-2)25(15-20)34-3/h5-10,15,21,23H,4,11-14,16-18H2,1-3H3,(H,28,32)
InChIKeyLYWVWCRQGMPFDS-UHFFFAOYSA-N
XLogP2.81
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 43060252
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
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-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053344
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24647082
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 119830140
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646232
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112758677

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55382996) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NCC(c2ccc(OC)c(OC)c2)N2CCOCC2)CC1=O.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LYWVWCRQGMPFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-4-19-7-5-6-8-22(19)30-18-21(16-26(30)31)27(32)28-17-23(29-11-13-35-14-12-29)20-9-10-24(33-2)25(15-20)34-3/h5-10,15,21,23H,4,11-14,16-18H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55382996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).