(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide

C24H30N2O3 — CID 92584946

IUPAC(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)CC)C1
InChIInChI=1S/C24H30N2O3/c1-4-22(27)26-15-14-24(17-26,23(28)25-5-2)16-18-10-12-19(13-11-18)20-8-6-7-9-21(20)29-3/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)/t24-/m1/s1
InChIKeyTYTTYJHQJZMIIL-XMMPIXPASA-N
MW394.52 g/mol
LogP3.67
Rot. Bonds7

About (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide

(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide (PubChem CID 92584946) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
PubChem CID92584946
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)CC)C1
InChIInChI=1S/C24H30N2O3/c1-4-22(27)26-15-14-24(17-26,23(28)25-5-2)16-18-10-12-19(13-11-18)20-8-6-7-9-21(20)29-3/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)/t24-/m1/s1
InChIKeyTYTTYJHQJZMIIL-XMMPIXPASA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231502
1-(cyclopentanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231496
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592444
N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110231495
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592458
1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110231473
(3S)-1-(cyclopropanecarbonyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579727
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide
CID 92557558
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide (CID 92584946) is (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)CC)C1.
What is the InChIKey of (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
The InChIKey is TYTTYJHQJZMIIL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-22(27)26-15-14-24(17-26,23(28)25-5-2)16-18-10-12-19(13-11-18)20-8-6-7-9-21(20)29-3/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)/t24-/m1/s1.
What are the key properties of (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92584946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).