N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

C16H22N2O2 — CID 103708354

IUPACN-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H22N2O2/c1-4-10(2)7-11(3)17-16(20)12-5-6-14-13(8-12)9-15(19)18-14/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQZZUGSPLNIRQQJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.74
Rot. Bonds5

About N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 103708354) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID103708354
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H22N2O2/c1-4-10(2)7-11(3)17-16(20)12-5-6-14-13(8-12)9-15(19)18-14/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQZZUGSPLNIRQQJ-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 108784618
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 103708354) is N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is CCC(C)CC(C)NC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is QZZUGSPLNIRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-10(2)7-11(3)17-16(20)12-5-6-14-13(8-12)9-15(19)18-14/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 103708354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).