(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide

C19H27N3O2 — CID 124596685

IUPAC(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2cccc3c2CN(CC(C)C)C3)CC1=O
InChIInChI=1S/C19H27N3O2/c1-4-22-11-15(8-18(22)23)19(24)20-17-7-5-6-14-10-21(9-13(2)3)12-16(14)17/h5-7,13,15H,4,8-12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyRFSKGBDVDMNLMY-OAHLLOKOSA-N
MW329.44 g/mol
LogP2.47
Rot. Bonds5

About (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124596685) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124596685
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2cccc3c2CN(CC(C)C)C3)CC1=O
InChIInChI=1S/C19H27N3O2/c1-4-22-11-15(8-18(22)23)19(24)20-17-7-5-6-14-10-21(9-13(2)3)12-16(14)17/h5-7,13,15H,4,8-12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyRFSKGBDVDMNLMY-OAHLLOKOSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 32561436
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
CID 119872395
1-benzyl-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545680
N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113185623
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182073
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 124596685) is (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)Nc2cccc3c2CN(CC(C)C)C3)CC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RFSKGBDVDMNLMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-22-11-15(8-18(22)23)19(24)20-17-7-5-6-14-10-21(9-13(2)3)12-16(14)17/h5-7,13,15H,4,8-12H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124596685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).