N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide

C14H20N2O3 — CID 107865742

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O3/c1-2-14(8-17,9-18)16-13(19)11-7-15-12-6-4-3-5-10(11)12/h3-6,11,15,17-18H,2,7-9H2,1H3,(H,16,19)
InChIKeyIELBYCQENKXKLF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.45
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 107865742) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID107865742
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O3/c1-2-14(8-17,9-18)16-13(19)11-7-15-12-6-4-3-5-10(11)12/h3-6,11,15,17-18H,2,7-9H2,1H3,(H,16,19)
InChIKeyIELBYCQENKXKLF-UHFFFAOYSA-N
XLogP0.45
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565156
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide
CID 103307344
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107863327

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide (CID 107865742) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide is CCC(CO)(CO)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is IELBYCQENKXKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-14(8-17,9-18)16-13(19)11-7-15-12-6-4-3-5-10(11)12/h3-6,11,15,17-18H,2,7-9H2,1H3,(H,16,19).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 107865742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).