methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate

C26H21NO3 — CID 10430798

IUPACmethyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C26H21NO3/c1-30-26(29)24(19-12-6-3-7-13-19)27-25(28)23-17-21(18-10-4-2-5-11-18)16-20-14-8-9-15-22(20)23/h2-17,24H,1H3,(H,27,28)
InChIKeyPDOFWPKADKQTPU-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.15
Rot. Bonds5

About methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate

methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate (PubChem CID 10430798) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate
PubChem CID10430798
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Namemethyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C26H21NO3/c1-30-26(29)24(19-12-6-3-7-13-19)27-25(28)23-17-21(18-10-4-2-5-11-18)16-20-14-8-9-15-22(20)23/h2-17,24H,1H3,(H,27,28)
InChIKeyPDOFWPKADKQTPU-UHFFFAOYSA-N
XLogP5.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate
CID 607125
methyl (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 15411310
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
ethyl 3,5-dimethyl-4-[(3-phenylnaphthalene-1-carbonyl)amino]benzoate
CID 122506998
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate (CID 10430798) is methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate is COC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate?
The InChIKey is PDOFWPKADKQTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c1-30-26(29)24(19-12-6-3-7-13-19)27-25(28)23-17-21(18-10-4-2-5-11-18)16-20-14-8-9-15-22(20)23/h2-17,24H,1H3,(H,27,28).
What are the key properties of methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate?
methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate has a molecular weight of 395.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate is sourced from PubChem (CID 10430798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).