2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate

C15H22N2O3 — CID 90967259

IUPAC2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate
SMILESCC(C)COC(=O)C(NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-14(18)13(16-15(19)17(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,16,19)
InChIKeySKDHBGDQAZCZHW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.20
Rot. Bonds5

About 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate

2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate (PubChem CID 90967259) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate.

Molecular Properties

Compound Name2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate
PubChem CID90967259
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate
SMILESCC(C)COC(=O)C(NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-14(18)13(16-15(19)17(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,16,19)
InChIKeySKDHBGDQAZCZHW-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
3-benzhydryl-1,1-dimethylurea
CID 2228466
3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate
CID 74329592
2-methylpropyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 142643268
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
dimethyl 2-[(dimethylcarbamoylamino)-phenylmethyl]propanedioate
CID 10638513
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate
CID 23256139
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
3-(2-methylpropoxy)-3-phenylpropanoic acid
CID 114988873

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate?
The IUPAC name of 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate (CID 90967259) is 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate.
What is the SMILES notation for 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate?
The canonical SMILES for 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate is CC(C)COC(=O)C(NC(=O)N(C)C)c1ccccc1.
What is the InChIKey of 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate?
The InChIKey is SKDHBGDQAZCZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-20-14(18)13(16-15(19)17(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,16,19).
What are the key properties of 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate?
2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate has a molecular weight of 278.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate is sourced from PubChem (CID 90967259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).