(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide

C24H24N2O2 — CID 46604017

IUPAC(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)/C=C/c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H24N2O2/c1-16-13-17(2)24(18(3)14-16)26-23(28)15-25-22(27)12-11-20-9-6-8-19-7-4-5-10-21(19)20/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)/b12-11+
InChIKeyNITRQMFCPADYRC-VAWYXSNFSA-N
MW372.47 g/mol
LogP4.53
Rot. Bonds5

About (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide

(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide (PubChem CID 46604017) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
PubChem CID46604017
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)/C=C/c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H24N2O2/c1-16-13-17(2)24(18(3)14-16)26-23(28)15-25-22(27)12-11-20-9-6-8-19-7-4-5-10-21(19)20/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)/b12-11+
InChIKeyNITRQMFCPADYRC-VAWYXSNFSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 26713975
3-(2-bromophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]prop-2-enamide
CID 74623628
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
(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)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 46564232
N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 55774179
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51164289
(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 966729

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide (CID 46604017) is (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide is Cc1cc(C)c(NC(=O)CNC(=O)/C=C/c2cccc3ccccc23)c(C)c1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide?
The InChIKey is NITRQMFCPADYRC-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-13-17(2)24(18(3)14-16)26-23(28)15-25-22(27)12-11-20-9-6-8-19-7-4-5-10-21(19)20/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)/b12-11+.
What are the key properties of (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide?
(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide is sourced from PubChem (CID 46604017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).