N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide

C15H20N2O2 — CID 97340429

IUPACN-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
SMILESCC[C@](C)(CCO)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H20N2O2/c1-3-15(2,7-9-18)17-14(19)12-5-4-11-6-8-16-13(11)10-12/h4-6,8,10,16,18H,3,7,9H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyMTSKQPUNHHWUEC-OAHLLOKOSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds5

About N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide

N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide (PubChem CID 97340429) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
PubChem CID97340429
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
SMILESCC[C@](C)(CCO)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H20N2O2/c1-3-15(2,7-9-18)17-14(19)12-5-4-11-6-8-16-13(11)10-12/h4-6,8,10,16,18H,3,7,9H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyMTSKQPUNHHWUEC-OAHLLOKOSA-N
XLogP2.45
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106166733
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
CID 106172243
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide (CID 97340429) is N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide is CC[C@](C)(CCO)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide?
The InChIKey is MTSKQPUNHHWUEC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-15(2,7-9-18)17-14(19)12-5-4-11-6-8-16-13(11)10-12/h4-6,8,10,16,18H,3,7,9H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide?
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 97340429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).