(2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C24H31N3O3 — CID 7335387

IUPAC(2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H31N3O3/c1-15(28)27-8-2-3-21(27)23(30)25-20-6-4-19(5-7-20)22(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18,21H,2-3,8-14H2,1H3,(H,25,30)(H,26,29)/t16?,17?,18?,21-,24?/m0/s1
InChIKeyFDKVSCFRMAMTDG-MHZGPWMTSA-N
MW409.53 g/mol
LogP3.33
Rot. Bonds4

About (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 7335387) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID7335387
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H31N3O3/c1-15(28)27-8-2-3-21(27)23(30)25-20-6-4-19(5-7-20)22(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18,21H,2-3,8-14H2,1H3,(H,25,30)(H,26,29)/t16?,17?,18?,21-,24?/m0/s1
InChIKeyFDKVSCFRMAMTDG-MHZGPWMTSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
(2R)-1-(adamantane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 30933248
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
methyl 2-[[2-[4-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781656
(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406171

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 7335387) is (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FDKVSCFRMAMTDG-MHZGPWMTSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-15(28)27-8-2-3-21(27)23(30)25-20-6-4-19(5-7-20)22(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18,21H,2-3,8-14H2,1H3,(H,25,30)(H,26,29)/t16?,17?,18?,21-,24?/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[4-(1-adamantylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 7335387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).