phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate

C22H19NO4 — CID 2268864

IUPACphenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H19NO4/c24-20(17-7-2-1-3-8-17)15-27-22(26)13-12-21(25)23-19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14H,12-13,15H2,(H,23,25)
InChIKeyPHCXAAMBYQRCHM-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.98
Rot. Bonds7

About phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate

phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate (PubChem CID 2268864) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate.

Molecular Properties

Compound Namephenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate
PubChem CID2268864
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namephenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H19NO4/c24-20(17-7-2-1-3-8-17)15-27-22(26)13-12-21(25)23-19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14H,12-13,15H2,(H,23,25)
InChIKeyPHCXAAMBYQRCHM-UHFFFAOYSA-N
XLogP3.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) 4-(4-nitroanilino)-4-oxobutanoate
CID 2935824
phenacyl 4-(4-nitroanilino)-4-oxobutanoate
CID 3818184
2-methylpropyl 4-[(4-oxo-4-phenacyloxybutanoyl)amino]benzoate
CID 3112611
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432
[2-(4-bromophenyl)-2-oxoethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate
CID 4226196
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate
CID 23764260
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012016
[2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 4-anilino-4-oxobutanoate
CID 4239483

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate?
The IUPAC name of phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate (CID 2268864) is phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate.
What is the SMILES notation for phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate?
The canonical SMILES for phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate is O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate?
The InChIKey is PHCXAAMBYQRCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-20(17-7-2-1-3-8-17)15-27-22(26)13-12-21(25)23-19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14H,12-13,15H2,(H,23,25).
What are the key properties of phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate?
phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate has a molecular weight of 361.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate is sourced from PubChem (CID 2268864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).