N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide

C20H27N3O2 — CID 110286392

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)19(25)22-17(18(24)23-10-6-7-11-23)12-14-13-21-16-9-5-4-8-15(14)16/h4-5,8-9,13,17,21H,6-7,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyLBCQHKVAOJHGAM-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.86
Rot. Bonds4

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 110286392) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
PubChem CID110286392
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)19(25)22-17(18(24)23-10-6-7-11-23)12-14-13-21-16-9-5-4-8-15(14)16/h4-5,8-9,13,17,21H,6-7,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyLBCQHKVAOJHGAM-KRWDZBQOSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
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N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-methoxybenzamide
CID 110286402
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110286456
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide
CID 59103137
N-[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide
CID 20711306
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-phenylsulfanylacetamide
CID 42698658
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 18391293
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
CID 21221997

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide (CID 110286392) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LBCQHKVAOJHGAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)19(25)22-17(18(24)23-10-6-7-11-23)12-14-13-21-16-9-5-4-8-15(14)16/h4-5,8-9,13,17,21H,6-7,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110286392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).