(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide

C27H23NO3 — CID 59443460

IUPAC(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C27H23NO3/c1-30-25-12-11-20-16-21(9-10-22(20)17-25)23-14-19(15-26(18-23)31-2)8-13-27(29)28-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,28,29)/b13-8+
InChIKeyRMOVSNYTMBTHHA-MDWZMJQESA-N
MW409.49 g/mol
LogP6.18
Rot. Bonds6

About (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide

(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide (PubChem CID 59443460) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
PubChem CID59443460
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C27H23NO3/c1-30-25-12-11-20-16-21(9-10-22(20)17-25)23-14-19(15-26(18-23)31-2)8-13-27(29)28-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,28,29)/b13-8+
InChIKeyRMOVSNYTMBTHHA-MDWZMJQESA-N
XLogP6.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.18
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)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 89317529
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-N-(4-anilinophenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552036
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-4-hydroxy-4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-2-oxobut-3-enoic acid
CID 71717789

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide (CID 59443460) is (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide?
The InChIKey is RMOVSNYTMBTHHA-MDWZMJQESA-N. The full InChI is InChI=1S/C27H23NO3/c1-30-25-12-11-20-16-21(9-10-22(20)17-25)23-14-19(15-26(18-23)31-2)8-13-27(29)28-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,28,29)/b13-8+.
What are the key properties of (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide?
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide has a molecular weight of 409.49 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 59443460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).