N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide

C19H26N2O2 — CID 111425971

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCC(O)C1CCCC1
InChIInChI=1S/C19H26N2O2/c22-18(14-6-1-2-7-14)13-21-19(23)11-5-8-15-12-20-17-10-4-3-9-16(15)17/h3-4,9-10,12,14,18,20,22H,1-2,5-8,11,13H2,(H,21,23)
InChIKeySEEJBVDBSTUXKR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds7

About N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide

N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 111425971) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
PubChem CID111425971
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCC(O)C1CCCC1
InChIInChI=1S/C19H26N2O2/c22-18(14-6-1-2-7-14)13-21-19(23)11-5-8-15-12-20-17-10-4-3-9-16(15)17/h3-4,9-10,12,14,18,20,22H,1-2,5-8,11,13H2,(H,21,23)
InChIKeySEEJBVDBSTUXKR-UHFFFAOYSA-N
XLogP3.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426163

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide (CID 111425971) is N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is SEEJBVDBSTUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(14-6-1-2-7-14)13-21-19(23)11-5-8-15-12-20-17-10-4-3-9-16(15)17/h3-4,9-10,12,14,18,20,22H,1-2,5-8,11,13H2,(H,21,23).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 314.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 111425971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).