(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide

C22H25N3O4 — CID 1443458

IUPAC(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C22H25N3O4/c1-3-29-20-12-5-4-10-18(20)24-21(27)19-11-7-13-25(19)22(28)23-17-9-6-8-16(14-17)15(2)26/h4-6,8-10,12,14,19H,3,7,11,13H2,1-2H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeyVEWYZYXRQHNOOW-IBGZPJMESA-N
MW395.46 g/mol
LogP3.92
Rot. Bonds6

About (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1443458) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1443458
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C22H25N3O4/c1-3-29-20-12-5-4-10-18(20)24-21(27)19-11-7-13-25(19)22(28)23-17-9-6-8-16(14-17)15(2)26/h4-6,8-10,12,14,19H,3,7,11,13H2,1-2H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeyVEWYZYXRQHNOOW-IBGZPJMESA-N
XLogP3.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443384
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443493
(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443364
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1443458) is (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide is CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is VEWYZYXRQHNOOW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-29-20-12-5-4-10-18(20)24-21(27)19-11-7-13-25(19)22(28)23-17-9-6-8-16(14-17)15(2)26/h4-6,8-10,12,14,19H,3,7,11,13H2,1-2H3,(H,23,28)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).