N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

C14H16N2O3 — CID 102712371

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCC(O)C3CC3)cc2N1
InChIInChI=1S/C14H16N2O3/c17-12(8-1-2-8)7-15-14(19)10-4-3-9-6-13(18)16-11(9)5-10/h3-5,8,12,17H,1-2,6-7H2,(H,15,19)(H,16,18)
InChIKeyDNMDEIGBNQKTOT-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.68
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712371) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712371
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCC(O)C3CC3)cc2N1
InChIInChI=1S/C14H16N2O3/c17-12(8-1-2-8)7-15-14(19)10-4-3-9-6-13(18)16-11(9)5-10/h3-5,8,12,17H,1-2,6-7H2,(H,15,19)(H,16,18)
InChIKeyDNMDEIGBNQKTOT-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]propyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737380
N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711574
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
N-(2-cyclohexylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712046
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 103152957
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-[2-(cyclopropylmethoxy)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737388
N-(2-cyclopentyloxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712402

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712371) is N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)NCC(O)C3CC3)cc2N1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is DNMDEIGBNQKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12(8-1-2-8)7-15-14(19)10-4-3-9-6-13(18)16-11(9)5-10/h3-5,8,12,17H,1-2,6-7H2,(H,15,19)(H,16,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).