N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C15H28N2O2 — CID 103796563

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H28N2O2/c1-10(2)12(7-8-18)17-15(19)14-9-11-5-3-4-6-13(11)16-14/h10-14,16,18H,3-9H2,1-2H3,(H,17,19)
InChIKeyIZHOZRWKSKGJOR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.43
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 103796563) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID103796563
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H28N2O2/c1-10(2)12(7-8-18)17-15(19)14-9-11-5-3-4-6-13(11)16-14/h10-14,16,18H,3-9H2,1-2H3,(H,17,19)
InChIKeyIZHOZRWKSKGJOR-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(5-methylhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579335
N-(4-hydroxy-2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 66089268
N-[(1R)-1-cyclopentylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 81389607
N-(4-methylpent-1-yn-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 114202418
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863514
methyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119274284
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
N-octan-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106025873
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106349918
N-(1-methoxyhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119330337
N-[1-(oxan-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119333944
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-2-cyclopropylacetic acid
CID 62695071

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 103796563) is N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC(C)C(CCO)NC(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is IZHOZRWKSKGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)12(7-8-18)17-15(19)14-9-11-5-3-4-6-13(11)16-14/h10-14,16,18H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 103796563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).