N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide

C15H20N2O3 — CID 110700491

IUPACN-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H20N2O3/c1-15(2)11-9-10(5-6-12(11)17-14(15)19)13(18)16-7-4-8-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZNZRFFDQIFCQCZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds5

About N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide

N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide (PubChem CID 110700491) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
PubChem CID110700491
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H20N2O3/c1-15(2)11-9-10(5-6-12(11)17-14(15)19)13(18)16-7-4-8-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZNZRFFDQIFCQCZ-UHFFFAOYSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
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

N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
CID 110784000
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308
N-(3-methoxypropyl)-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine-7-carboxamide
CID 100602846
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
CID 110700546
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide (CID 110700491) is N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide is COCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
The InChIKey is ZNZRFFDQIFCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)11-9-10(5-6-12(11)17-14(15)19)13(18)16-7-4-8-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide is sourced from PubChem (CID 110700491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).