methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate

C13H18N2O3 — CID 3684111

IUPACmethyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-9-6-5-7-10(8-9)14-12(17)15-13(2,3)11(16)18-4/h5-8H,1-4H3,(H2,14,15,17)
InChIKeySDVHMOVQIWYUBK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate

methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate (PubChem CID 3684111) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate
PubChem CID3684111
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-9-6-5-7-10(8-9)14-12(17)15-13(2,3)11(16)18-4/h5-8H,1-4H3,(H2,14,15,17)
InChIKeySDVHMOVQIWYUBK-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-(3-methylphenyl)acetamide
CID 10843
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
1-(3-methylphenyl)-3-[(1R)-2,2,2-trichloro-1-[2-[(1R)-2,2,2-trichloro-1-[(3-methylphenyl)carbamoylamino]ethoxy]phenoxy]ethyl]urea
CID 99666874

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate (CID 3684111) is methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate is COC(=O)C(C)(C)NC(=O)Nc1cccc(C)c1.
What is the InChIKey of methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate?
The InChIKey is SDVHMOVQIWYUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-5-7-10(8-9)14-12(17)15-13(2,3)11(16)18-4/h5-8H,1-4H3,(H2,14,15,17).
What are the key properties of methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate?
methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate has a molecular weight of 250.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 3684111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).