methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate

C14H20N2O3 — CID 66173914

IUPACmethyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-9(2)15-13(17)11-6-5-7-12(8-11)16-10(3)14(18)19-4/h5-10,16H,1-4H3,(H,15,17)
InChIKeyKACLWZYCHDSIOB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds5

About methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate

methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate (PubChem CID 66173914) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
PubChem CID66173914
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-9(2)15-13(17)11-6-5-7-12(8-11)16-10(3)14(18)19-4/h5-10,16H,1-4H3,(H,15,17)
InChIKeyKACLWZYCHDSIOB-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
methyl 2-anilinopropanoate
CID 3417283
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
ethane;methyl 2-[[3-(carbamoylamino)benzoyl]amino]-3-methylbutanoate
CID 162429349
3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
CID 63945899
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
CID 97329344
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate?
The IUPAC name of methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate (CID 66173914) is methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate.
What is the SMILES notation for methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate?
The canonical SMILES for methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate is COC(=O)C(C)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate?
The InChIKey is KACLWZYCHDSIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)15-13(17)11-6-5-7-12(8-11)16-10(3)14(18)19-4/h5-10,16H,1-4H3,(H,15,17).
What are the key properties of methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate?
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate is sourced from PubChem (CID 66173914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).