methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate

C19H22N2O3 — CID 3800080

IUPACmethyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate
SMILESCCc1cccc(C)c1NC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-14-12-8-9-13(2)16(14)20-19(23)21-17(18(22)24-3)15-10-6-5-7-11-15/h5-12,17H,4H2,1-3H3,(H2,20,21,23)
InChIKeyZMFCRFKKMFBHJH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate

methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate (PubChem CID 3800080) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate
PubChem CID3800080
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate
SMILESCCc1cccc(C)c1NC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-14-12-8-9-13(2)16(14)20-19(23)21-17(18(22)24-3)15-10-6-5-7-11-15/h5-12,17H,4H2,1-3H3,(H2,20,21,23)
InChIKeyZMFCRFKKMFBHJH-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 138015522
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 94822914
(2S)-2-[(2-ethyl-6-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 28508827
(2S)-4-amino-2-[(2-ethyl-6-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716068
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-[(2-ethyl-6-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61182358
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate (CID 3800080) is methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate is CCc1cccc(C)c1NC(=O)NC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate?
The InChIKey is ZMFCRFKKMFBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-14-12-8-9-13(2)16(14)20-19(23)21-17(18(22)24-3)15-10-6-5-7-11-15/h5-12,17H,4H2,1-3H3,(H2,20,21,23).
What are the key properties of methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate?
methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate has a molecular weight of 326.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate is sourced from PubChem (CID 3800080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).