N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide

C21H29N3O2 — CID 95712428

IUPACN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
SMILESCC(C)(C)CN1C[C@H](NC(=O)CCCc2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C21H29N3O2/c1-21(2,3)14-24-13-16(11-20(24)26)23-19(25)10-6-7-15-12-22-18-9-5-4-8-17(15)18/h4-5,8-9,12,16,22H,6-7,10-11,13-14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyYGDPHRWUIGAGTL-MRXNPFEDSA-N
MW355.48 g/mol
LogP3.25
Rot. Bonds6

About N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide

N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide (PubChem CID 95712428) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
PubChem CID95712428
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
SMILESCC(C)(C)CN1C[C@H](NC(=O)CCCc2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C21H29N3O2/c1-21(2,3)14-24-13-16(11-20(24)26)23-19(25)10-6-7-15-12-22-18-9-5-4-8-17(15)18/h4-5,8-9,12,16,22H,6-7,10-11,13-14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyYGDPHRWUIGAGTL-MRXNPFEDSA-N
XLogP3.25
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 45229156
4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide
CID 91910799
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide (CID 95712428) is N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide is CC(C)(C)CN1C[C@H](NC(=O)CCCc2c[nH]c3ccccc23)CC1=O.
What is the InChIKey of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is YGDPHRWUIGAGTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2,3)14-24-13-16(11-20(24)26)23-19(25)10-6-7-15-12-22-18-9-5-4-8-17(15)18/h4-5,8-9,12,16,22H,6-7,10-11,13-14H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide?
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 355.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 95712428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).