[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

C23H22N2O4 — CID 7881567

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C23H22N2O4/c1-15-6-5-9-20(16(15)2)25-21(26)14-29-22(27)13-24-23(28)19-11-10-17-7-3-4-8-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyPKCNQBXLOKZATA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.37
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881567) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881567
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C23H22N2O4/c1-15-6-5-9-20(16(15)2)25-21(26)14-29-22(27)13-24-23(28)19-11-10-17-7-3-4-8-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyPKCNQBXLOKZATA-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573777
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881074
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 27238678
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27013138
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883962
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884459

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881567) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is Cc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is PKCNQBXLOKZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-6-5-9-20(16(15)2)25-21(26)14-29-22(27)13-24-23(28)19-11-10-17-7-3-4-8-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 390.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).