N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide

C14H16N2O2 — CID 55257824

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
SMILESO=C(NCC(O)C1CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O2/c17-13(9-1-2-9)8-16-14(18)11-3-4-12-10(7-11)5-6-15-12/h3-7,9,13,15,17H,1-2,8H2,(H,16,18)
InChIKeyJAEWSPHYUDZCOO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.67
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide (PubChem CID 55257824) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
PubChem CID55257824
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
SMILESO=C(NCC(O)C1CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O2/c17-13(9-1-2-9)8-16-14(18)11-3-4-12-10(7-11)5-6-15-12/h3-7,9,13,15,17H,1-2,8H2,(H,16,18)
InChIKeyJAEWSPHYUDZCOO-UHFFFAOYSA-N
XLogP1.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
CID 65223413
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide (CID 55257824) is N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide is O=C(NCC(O)C1CC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide?
The InChIKey is JAEWSPHYUDZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13(9-1-2-9)8-16-14(18)11-3-4-12-10(7-11)5-6-15-12/h3-7,9,13,15,17H,1-2,8H2,(H,16,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 55257824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).