2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide

C14H20N2O2 — CID 113265717

IUPAC2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
SMILESCCCOCC(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C14H20N2O2/c1-2-8-18-10-14(17)16-12-6-5-11-4-3-7-15-13(11)9-12/h5-6,9,15H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyIEJDDNDXRYGHFN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.41
Rot. Bonds5

About 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide

2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide (PubChem CID 113265717) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
PubChem CID113265717
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
SMILESCCCOCC(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C14H20N2O2/c1-2-8-18-10-14(17)16-12-6-5-11-4-3-7-15-13(11)9-12/h5-6,9,15H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyIEJDDNDXRYGHFN-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.41
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

2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 63931236
2-(2-hydroxyphenyl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 80722972
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63931240
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
CID 107180778
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 107654114
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
The IUPAC name of 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide (CID 113265717) is 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide.
What is the SMILES notation for 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
The canonical SMILES for 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide is CCCOCC(=O)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
The InChIKey is IEJDDNDXRYGHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-8-18-10-14(17)16-12-6-5-11-4-3-7-15-13(11)9-12/h5-6,9,15H,2-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide is sourced from PubChem (CID 113265717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).