(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide

C20H19NO3 — CID 155181144

IUPAC(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(COc2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C20H19NO3/c21-20(23)11-8-14-4-6-15(7-5-14)13-24-17-9-10-18-16(12-17)2-1-3-19(18)22/h4-12H,1-3,13H2,(H2,21,23)/b11-8+
InChIKeyLSYGJHABYNFUKR-DHZHZOJOSA-N
MW321.38 g/mol
LogP3.28
Rot. Bonds5

About (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide

(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide (PubChem CID 155181144) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide
PubChem CID155181144
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(COc2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C20H19NO3/c21-20(23)11-8-14-4-6-15(7-5-14)13-24-17-9-10-18-16(12-17)2-1-3-19(18)22/h4-12H,1-3,13H2,(H2,21,23)/b11-8+
InChIKeyLSYGJHABYNFUKR-DHZHZOJOSA-N
XLogP3.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enoic acid
CID 155168329
6-[[4-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one;(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enoic acid
CID 165052810
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 107881278
(E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]prop-2-enamide
CID 170878016
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
(E)-3-[4-[[6-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-5-oxo-7,8-dihydronaphthalen-2-yl]oxymethyl]phenyl]prop-2-enoic acid
CID 155168308
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide (CID 155181144) is (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide is NC(=O)/C=C/c1ccc(COc2ccc3c(c2)CCCC3=O)cc1.
What is the InChIKey of (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide?
The InChIKey is LSYGJHABYNFUKR-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19NO3/c21-20(23)11-8-14-4-6-15(7-5-14)13-24-17-9-10-18-16(12-17)2-1-3-19(18)22/h4-12H,1-3,13H2,(H2,21,23)/b11-8+.
What are the key properties of (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide?
(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 155181144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).