(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide

C21H19NO2 — CID 24592972

IUPAC(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H19NO2/c1-15-10-12-20(24-2)19(14-15)22-21(23)13-11-17-8-5-7-16-6-3-4-9-18(16)17/h3-14H,1-2H3,(H,22,23)/b13-11+
InChIKeyLECJGNFKQQYDJX-ACCUITESSA-N
MW317.39 g/mol
LogP4.81
Rot. Bonds4

About (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24592972) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID24592972
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H19NO2/c1-15-10-12-20(24-2)19(14-15)22-21(23)13-11-17-8-5-7-16-6-3-4-9-18(16)17/h3-14H,1-2H3,(H,22,23)/b13-11+
InChIKeyLECJGNFKQQYDJX-ACCUITESSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 51057953
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-naphthalen-1-ylprop-2-enamide
CID 41483751
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 17417153

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 24592972) is (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide is COc1ccc(C)cc1NC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is LECJGNFKQQYDJX-ACCUITESSA-N. The full InChI is InChI=1S/C21H19NO2/c1-15-10-12-20(24-2)19(14-15)22-21(23)13-11-17-8-5-7-16-6-3-4-9-18(16)17/h3-14H,1-2H3,(H,22,23)/b13-11+.
What are the key properties of (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24592972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).