(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide

C24H28N4O2 — CID 25274155

IUPAC(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1ccnc1CN1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C24H28N4O2/c1-3-27-16-14-25-23(27)17-28-15-6-9-22(28)24(29)26-21-8-5-4-7-20(21)18-10-12-19(30-2)13-11-18/h4-5,7-8,10-14,16,22H,3,6,9,15,17H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyWFHICTZEELAYBP-JOCHJYFZSA-N
MW404.51 g/mol
LogP4.18
Rot. Bonds7

About (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 25274155) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID25274155
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1ccnc1CN1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C24H28N4O2/c1-3-27-16-14-25-23(27)17-28-15-6-9-22(28)24(29)26-21-8-5-4-7-20(21)18-10-12-19(30-2)13-11-18/h4-5,7-8,10-14,16,22H,3,6,9,15,17H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyWFHICTZEELAYBP-JOCHJYFZSA-N
XLogP4.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 25287412
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 45215558
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
1-[(1-ethylimidazol-2-yl)methyl]azocane-2-carboxylic acid
CID 114239952
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide (CID 25274155) is (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide is CCn1ccnc1CN1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1.
What is the InChIKey of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WFHICTZEELAYBP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-27-16-14-25-23(27)17-28-15-6-9-22(28)24(29)26-21-8-5-4-7-20(21)18-10-12-19(30-2)13-11-18/h4-5,7-8,10-14,16,22H,3,6,9,15,17H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25274155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).