3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide

C22H21NO — CID 5178128

IUPAC3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)C=Cc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H21NO/c1-15-13-16(2)22(17(3)14-15)23-21(24)12-11-19-9-6-8-18-7-4-5-10-20(18)19/h4-14H,1-3H3,(H,23,24)
InChIKeyOCKBXEZIHHBZSN-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.42
Rot. Bonds3

About 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide

3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 5178128) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID5178128
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)C=Cc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H21NO/c1-15-13-16(2)22(17(3)14-15)23-21(24)12-11-19-9-6-8-18-7-4-5-10-20(18)19/h4-14H,1-3H3,(H,23,24)
InChIKeyOCKBXEZIHHBZSN-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 46604017
(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 966729
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6128957
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55506917
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide (CID 5178128) is 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(NC(=O)C=Cc2cccc3ccccc23)c(C)c1.
What is the InChIKey of 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is OCKBXEZIHHBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-15-13-16(2)22(17(3)14-15)23-21(24)12-11-19-9-6-8-18-7-4-5-10-20(18)19/h4-14H,1-3H3,(H,23,24).
What are the key properties of 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 315.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 5178128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).