N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide

C16H24N2O2 — CID 66171666

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H24N2O2/c1-11(2)9-16(3,20)10-18-15(19)13-4-5-14-12(8-13)6-7-17-14/h4-5,8,11,17,20H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyWAZCYZYEBHQMRW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 66171666) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID66171666
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H24N2O2/c1-11(2)9-16(3,20)10-18-15(19)13-4-5-14-12(8-13)6-7-17-14/h4-5,8,11,17,20H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyWAZCYZYEBHQMRW-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106247626
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 66171666) is N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide is CC(C)CC(C)(O)CNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is WAZCYZYEBHQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)9-16(3,20)10-18-15(19)13-4-5-14-12(8-13)6-7-17-14/h4-5,8,11,17,20H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 66171666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).