N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide

C18H23N3O2 — CID 166255027

IUPACN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide
SMILESCC(CC(=O)NC1C(=O)NCC1(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-11(13-9-19-14-7-5-4-6-12(13)14)8-15(22)21-16-17(23)20-10-18(16,2)3/h4-7,9,11,16,19H,8,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyGKVJRCLBIVODPQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.30
Rot. Bonds4

About N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide

N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide (PubChem CID 166255027) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide
PubChem CID166255027
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide
SMILESCC(CC(=O)NC1C(=O)NCC1(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-11(13-9-19-14-7-5-4-6-12(13)14)8-15(22)21-16-17(23)20-10-18(16,2)3/h4-7,9,11,16,19H,8,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyGKVJRCLBIVODPQ-UHFFFAOYSA-N
XLogP2.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide
CID 99798995
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 8645346
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
(3S)-3-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 42553560
(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
CID 51497863
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4089115
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide (CID 166255027) is N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide is CC(CC(=O)NC1C(=O)NCC1(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide?
The InChIKey is GKVJRCLBIVODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(13-9-19-14-7-5-4-6-12(13)14)8-15(22)21-16-17(23)20-10-18(16,2)3/h4-7,9,11,16,19H,8,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide?
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 166255027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).