[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate

C23H22N2O4 — CID 42902368

IUPAC[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCc1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H22N2O4/c1-15-6-5-9-20(12-15)25-22(27)16(2)29-21(26)14-24-23(28)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,16H,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyINJXITLPXHBZJD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds6

About [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate

[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 42902368) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID42902368
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCc1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H22N2O4/c1-15-6-5-9-20(12-15)25-22(27)16(2)29-21(26)14-24-23(28)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,16H,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyINJXITLPXHBZJD-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884337
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363900
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 2082200
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573808
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363647
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363899
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269570
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363910
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363829
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate (CID 42902368) is [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate is Cc1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is INJXITLPXHBZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-6-5-9-20(12-15)25-22(27)16(2)29-21(26)14-24-23(28)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,16H,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 390.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 42902368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).