N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

C15H22N2O2 — CID 104761979

IUPACN-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(C)OCCNC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-11(2)19-10-9-16-15(18)14-8-7-12-5-3-4-6-13(12)17-14/h3-6,11,14,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyHJNIADULAUBVHB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 104761979) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID104761979
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(C)OCCNC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-11(2)19-10-9-16-15(18)14-8-7-12-5-3-4-6-13(12)17-14/h3-6,11,14,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyHJNIADULAUBVHB-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
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-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 104761979) is N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is CC(C)OCCNC(=O)C1CCc2ccccc2N1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is HJNIADULAUBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)19-10-9-16-15(18)14-8-7-12-5-3-4-6-13(12)17-14/h3-6,11,14,17H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 104761979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).