4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid

C23H20N2O4 — CID 4940775

IUPAC4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
SMILESCCN(C(=O)c1ccc(NC(=O)C=CC(=O)O)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H20N2O4/c1-2-25(20-9-5-7-16-6-3-4-8-19(16)20)23(29)17-10-12-18(13-11-17)24-21(26)14-15-22(27)28/h3-15H,2H2,1H3,(H,24,26)(H,27,28)
InChIKeyADJRLWPNBKDHNO-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.09
Rot. Bonds6

About 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid

4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid (PubChem CID 4940775) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
PubChem CID4940775
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
SMILESCCN(C(=O)c1ccc(NC(=O)C=CC(=O)O)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H20N2O4/c1-2-25(20-9-5-7-16-6-3-4-8-19(16)20)23(29)17-10-12-18(13-11-17)24-21(26)14-15-22(27)28/h3-15H,2H2,1H3,(H,24,26)(H,27,28)
InChIKeyADJRLWPNBKDHNO-UHFFFAOYSA-N
XLogP4.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 6234760
N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
CID 6234774
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
CID 4940910
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 26168850
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
CID 26169011
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 169340310
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid?
The IUPAC name of 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid (CID 4940775) is 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid?
The canonical SMILES for 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid is CCN(C(=O)c1ccc(NC(=O)C=CC(=O)O)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid?
The InChIKey is ADJRLWPNBKDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-25(20-9-5-7-16-6-3-4-8-19(16)20)23(29)17-10-12-18(13-11-17)24-21(26)14-15-22(27)28/h3-15H,2H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid?
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 4940775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).