N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C18H26N2O3 — CID 111697545

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCC(C)CC(CCO)CNC(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C18H26N2O3/c1-12(2)9-13(7-8-21)11-19-17(22)10-15-14-5-3-4-6-16(14)20-18(15)23/h3-6,12-13,15,21H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQRZMVVZOMXDWKC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 111697545) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID111697545
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCC(C)CC(CCO)CNC(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C18H26N2O3/c1-12(2)9-13(7-8-21)11-19-17(22)10-15-14-5-3-4-6-16(14)20-18(15)23/h3-6,12-13,15,21H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQRZMVVZOMXDWKC-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
CID 111662437
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111441433
N-[(4-fluorophenyl)methyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694604
N-(2-naphthalen-1-ylethyl)-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 52536360
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98469126
N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
CID 177414961
2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid
CID 85274004
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98432230
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 111697545) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is CC(C)CC(CCO)CNC(=O)CC1C(=O)Nc2ccccc21.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is QRZMVVZOMXDWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)9-13(7-8-21)11-19-17(22)10-15-14-5-3-4-6-16(14)20-18(15)23/h3-6,12-13,15,21H,7-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 111697545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).