N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide

C16H22N2O2 — CID 110900843

IUPACN-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)CO)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-11(2)8-18-9-14(16(20)17-12(3)10-19)13-6-4-5-7-15(13)18/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,17,20)
InChIKeyFVJIKEVCRYBVLB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.41
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide

N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide (PubChem CID 110900843) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
PubChem CID110900843
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)CO)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-11(2)8-18-9-14(16(20)17-12(3)10-19)13-6-4-5-7-15(13)18/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,17,20)
InChIKeyFVJIKEVCRYBVLB-UHFFFAOYSA-N
XLogP2.41
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxamide
CID 97329350
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
CID 87020117
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 86936630
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56523326
1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
CID 55961998
N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 53015565
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide (CID 110900843) is N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide is CC(C)Cn1cc(C(=O)NC(C)CO)c2ccccc21.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is FVJIKEVCRYBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)8-18-9-14(16(20)17-12(3)10-19)13-6-4-5-7-15(13)18/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,17,20).
What are the key properties of N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 110900843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).