ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate

C18H20N2O4 — CID 129012663

IUPACethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)12-19-16(21)10-11-17(22)20-15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOELBGKBNRANKOH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.24
Rot. Bonds7

About ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate

ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate (PubChem CID 129012663) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
PubChem CID129012663
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)12-19-16(21)10-11-17(22)20-15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOELBGKBNRANKOH-UHFFFAOYSA-N
XLogP2.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
CID 4261484
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
5-(ethylamino)-N-naphthalen-1-yl-4-oxopentanamide
CID 175505076
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate (CID 129012663) is ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate is CCOC(=O)CNC(=O)CCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate?
The InChIKey is OELBGKBNRANKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-18(23)12-19-16(21)10-11-17(22)20-15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,10-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate?
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate has a molecular weight of 328.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate is sourced from PubChem (CID 129012663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).