N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide

C15H20N2O3 — CID 98020122

IUPACN-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(C(=O)NCCCO)ccc21
InChIInChI=1S/C15H20N2O3/c1-15(2)11-9-10(13(19)16-7-4-8-18)5-6-12(11)17(3)14(15)20/h5-6,9,18H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyIMQHSDMREYFCQF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.05
Rot. Bonds4

About N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide

N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide (PubChem CID 98020122) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
PubChem CID98020122
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(C(=O)NCCCO)ccc21
InChIInChI=1S/C15H20N2O3/c1-15(2)11-9-10(13(19)16-7-4-8-18)5-6-12(11)17(3)14(15)20/h5-6,9,18H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyIMQHSDMREYFCQF-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
2-oxo-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetic acid
CID 82479711
5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82475607
N-(3-methoxypropyl)-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771006
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764430
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328
N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771024
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]cyclopropanecarboxamide
CID 110790327
1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea
CID 110776055
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide
CID 98033831

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide (CID 98020122) is N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide is CN1C(=O)C(C)(C)c2cc(C(=O)NCCCO)ccc21.
What is the InChIKey of N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The InChIKey is IMQHSDMREYFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)11-9-10(13(19)16-7-4-8-18)5-6-12(11)17(3)14(15)20/h5-6,9,18H,4,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide is sourced from PubChem (CID 98020122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).