N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O2 — CID 76892809

IUPACN-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCCCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2/c1-17-8-4-7-14-13(16)12-9-10-5-2-3-6-11(10)15-12/h2-3,5-6,12,15H,4,7-9H2,1H3,(H,14,16)
InChIKeyPOYAXRGUSKHXIC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds5

About N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76892809) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76892809
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCCCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2/c1-17-8-4-7-14-13(16)12-9-10-5-2-3-6-11(10)15-12/h2-3,5-6,12,15H,4,7-9H2,1H3,(H,14,16)
InChIKeyPOYAXRGUSKHXIC-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76892809) is N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide is COCCCNC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is POYAXRGUSKHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-8-4-7-14-13(16)12-9-10-5-2-3-6-11(10)15-12/h2-3,5-6,12,15H,4,7-9H2,1H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76892809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).