methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate

C15H22N2O3 — CID 63107970

IUPACmethyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)16-12-9-7-6-8-11(12)13(18)17-15(3,4)14(19)20-5/h6-10,16H,1-5H3,(H,17,18)
InChIKeyRGGDAEDCFLHSMN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate

methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate (PubChem CID 63107970) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
PubChem CID63107970
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)16-12-9-7-6-8-11(12)13(18)17-15(3,4)14(19)20-5/h6-10,16H,1-5H3,(H,17,18)
InChIKeyRGGDAEDCFLHSMN-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate (CID 63107970) is methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)c1ccccc1NC(C)C.
What is the InChIKey of methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The InChIKey is RGGDAEDCFLHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)16-12-9-7-6-8-11(12)13(18)17-15(3,4)14(19)20-5/h6-10,16H,1-5H3,(H,17,18).
What are the key properties of methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 63107970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).