(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 99833431

IUPAC(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
SMILESCCNc1cc(C)ccc1NC(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C16H23N3O2/c1-4-17-14-10-11(2)7-8-13(14)18-16(21)15-6-5-9-19(15)12(3)20/h7-8,10,15,17H,4-6,9H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyCHYLAPSUKKOKPB-HNNXBMFYSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds4

About (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide (PubChem CID 99833431) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
PubChem CID99833431
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
SMILESCCNc1cc(C)ccc1NC(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C16H23N3O2/c1-4-17-14-10-11(2)7-8-13(14)18-16(21)15-6-5-9-19(15)12(3)20/h7-8,10,15,17H,4-6,9H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyCHYLAPSUKKOKPB-HNNXBMFYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 47050528
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide
CID 4902936
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119327963
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide (CID 99833431) is (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide is CCNc1cc(C)ccc1NC(=O)[C@@H]1CCCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide?
The InChIKey is CHYLAPSUKKOKPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-14-10-11(2)7-8-13(14)18-16(21)15-6-5-9-19(15)12(3)20/h7-8,10,15,17H,4-6,9H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.38, 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-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99833431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).