[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate

C23H22N2O4 — CID 7881701

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)NCCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-21(24-13-12-17-6-2-1-3-7-17)16-29-22(27)15-25-23(28)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H,24,26)(H,25,28)
InChIKeyDXDMQNBTGVWBCU-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.47
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881701) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881701
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)NCCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-21(24-13-12-17-6-2-1-3-7-17)16-29-22(27)15-25-23(28)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H,24,26)(H,25,28)
InChIKeyDXDMQNBTGVWBCU-UHFFFAOYSA-N
XLogP2.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(2-phenylethylamino)ethyl]naphthalene-2-carboxamide
CID 27670981
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573777
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8654014
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881701) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is DXDMQNBTGVWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-21(24-13-12-17-6-2-1-3-7-17)16-29-22(27)15-25-23(28)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H,24,26)(H,25,28).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 390.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).