methyl 2-acetamido-3-(2-propylanilino)propanoate

C15H22N2O3 — CID 103246193

IUPACmethyl 2-acetamido-3-(2-propylanilino)propanoate
SMILESCCCc1ccccc1NCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C15H22N2O3/c1-4-7-12-8-5-6-9-13(12)16-10-14(15(19)20-3)17-11(2)18/h5-6,8-9,14,16H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyHIOPTKIISAXHSJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds7

About methyl 2-acetamido-3-(2-propylanilino)propanoate

methyl 2-acetamido-3-(2-propylanilino)propanoate (PubChem CID 103246193) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-propylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-propylanilino)propanoate
PubChem CID103246193
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-acetamido-3-(2-propylanilino)propanoate
SMILESCCCc1ccccc1NCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C15H22N2O3/c1-4-7-12-8-5-6-9-13(12)16-10-14(15(19)20-3)17-11(2)18/h5-6,8-9,14,16H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyHIOPTKIISAXHSJ-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-propylanilino)propanamide
CID 103246191
methyl 2-acetamido-3-(4-butylanilino)propanoate
CID 103237589
methyl 2-acetamido-3-(2-cyano-3-methylanilino)propanoate
CID 107799403
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
CID 22603328
methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate
CID 103240330
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
methyl 2-acetamido-3-(4-fluoro-2-methoxyanilino)propanoate
CID 103245525
methyl 2-acetamido-3-(4-bromo-2-methylanilino)propanoate
CID 103232313
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-propylanilino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-propylanilino)propanoate (CID 103246193) is methyl 2-acetamido-3-(2-propylanilino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-propylanilino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-propylanilino)propanoate is CCCc1ccccc1NCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-propylanilino)propanoate?
The InChIKey is HIOPTKIISAXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-7-12-8-5-6-9-13(12)16-10-14(15(19)20-3)17-11(2)18/h5-6,8-9,14,16H,4,7,10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-acetamido-3-(2-propylanilino)propanoate?
methyl 2-acetamido-3-(2-propylanilino)propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-propylanilino)propanoate is sourced from PubChem (CID 103246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).