1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide

C14H17NO3 — CID 172861963

IUPAC1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide
SMILESCCC1(C(N)=O)CCC(=O)c2ccc(OC)cc21
InChIInChI=1S/C14H17NO3/c1-3-14(13(15)17)7-6-12(16)10-5-4-9(18-2)8-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H2,15,17)
InChIKeyZLWJNQYPQXHTNT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.80
Rot. Bonds3

About 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide

1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide (PubChem CID 172861963) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide
PubChem CID172861963
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide
SMILESCCC1(C(N)=O)CCC(=O)c2ccc(OC)cc21
InChIInChI=1S/C14H17NO3/c1-3-14(13(15)17)7-6-12(16)10-5-4-9(18-2)8-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H2,15,17)
InChIKeyZLWJNQYPQXHTNT-UHFFFAOYSA-N
XLogP1.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
CID 18180234
1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
CID 121004266
ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate
CID 162204632
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
3,3-diethyl-6-methoxy-2H-inden-1-one
CID 19036614
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
CID 101410049
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237
ethane;(4-ethylphenyl) 8-ethyl-8-methyl-5-oxo-6,7-dihydronaphthalene-2-carboxylate
CID 142118497

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide?
The IUPAC name of 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide (CID 172861963) is 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide.
What is the SMILES notation for 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide?
The canonical SMILES for 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide is CCC1(C(N)=O)CCC(=O)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide?
The InChIKey is ZLWJNQYPQXHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-14(13(15)17)7-6-12(16)10-5-4-9(18-2)8-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H2,15,17).
What are the key properties of 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide?
1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide is sourced from PubChem (CID 172861963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).