ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate

C24H24N2O4 — CID 26168945

IUPACethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccc(C(=O)N(CC)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H24N2O4/c1-3-26(21-11-7-9-17-8-5-6-10-20(17)21)24(29)18-12-14-19(15-13-18)25-22(27)16-23(28)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyVJSIPCFOEKGUSN-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.40
Rot. Bonds7

About ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate

ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate (PubChem CID 26168945) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
PubChem CID26168945
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccc(C(=O)N(CC)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H24N2O4/c1-3-26(21-11-7-9-17-8-5-6-10-20(17)21)24(29)18-12-14-19(15-13-18)25-22(27)16-23(28)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyVJSIPCFOEKGUSN-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
CID 26169011
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940764
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 4940775
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
CID 4940910
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 26168850

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate (CID 26168945) is ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1ccc(C(=O)N(CC)c2cccc3ccccc23)cc1.
What is the InChIKey of ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate?
The InChIKey is VJSIPCFOEKGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-26(21-11-7-9-17-8-5-6-10-20(17)21)24(29)18-12-14-19(15-13-18)25-22(27)16-23(28)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27).
What are the key properties of ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate?
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate has a molecular weight of 404.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate is sourced from PubChem (CID 26168945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).