5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide

C18H17NO3 — CID 13067348

IUPAC5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
SMILESNC(=O)c1c(OCc2ccccc2)ccc2c1CCCC2=O
InChIInChI=1S/C18H17NO3/c19-18(21)17-14-7-4-8-15(20)13(14)9-10-16(17)22-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,19,21)
InChIKeyHBWQGFWZGBBPPV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.88
Rot. Bonds4

About 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide

5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide (PubChem CID 13067348) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
PubChem CID13067348
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
SMILESNC(=O)c1c(OCc2ccccc2)ccc2c1CCCC2=O
InChIInChI=1S/C18H17NO3/c19-18(21)17-14-7-4-8-15(20)13(14)9-10-16(17)22-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,19,21)
InChIKeyHBWQGFWZGBBPPV-UHFFFAOYSA-N
XLogP2.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 157206888
(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 13067471
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
CID 171619861
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
9,10-dioxo-2-phenylmethoxyanthracene-1-carboxylic acid
CID 150017860
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 85439199
(E)-3-(1-oxo-7-phenylmethoxy-2,3-dihydroinden-4-yl)prop-2-enoic acid
CID 118184951

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide?
The IUPAC name of 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide (CID 13067348) is 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide.
What is the SMILES notation for 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide?
The canonical SMILES for 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide is NC(=O)c1c(OCc2ccccc2)ccc2c1CCCC2=O.
What is the InChIKey of 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide?
The InChIKey is HBWQGFWZGBBPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c19-18(21)17-14-7-4-8-15(20)13(14)9-10-16(17)22-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,19,21).
What are the key properties of 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide?
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide is sourced from PubChem (CID 13067348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).