N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide

C16H22N2O2 — CID 111484272

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCC(C)(O)C(C)C)[nH]c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)16(4,20)9-17-15(19)14-8-12-6-5-11(3)7-13(12)18-14/h5-8,10,18,20H,9H2,1-4H3,(H,17,19)
InChIKeyMMPXBCZZNKGZRF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds4

About N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 111484272) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID111484272
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCC(C)(O)C(C)C)[nH]c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)16(4,20)9-17-15(19)14-8-12-6-5-11(3)7-13(12)18-14/h5-8,10,18,20H,9H2,1-4H3,(H,17,19)
InChIKeyMMPXBCZZNKGZRF-UHFFFAOYSA-N
XLogP2.61
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide
CID 111486398
6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
CID 56823834
N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide
CID 95297875
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate
CID 60581935
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
CID 55555913
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide (CID 111484272) is N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCC(C)(O)C(C)C)[nH]c2c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is MMPXBCZZNKGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)16(4,20)9-17-15(19)14-8-12-6-5-11(3)7-13(12)18-14/h5-8,10,18,20H,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 111484272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).