methyl 2-acetamido-3-(4-butylphenoxy)propanoate

C16H23NO4 — CID 115492132

IUPACmethyl 2-acetamido-3-(4-butylphenoxy)propanoate
SMILESCCCCc1ccc(OCC(NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-4-5-6-13-7-9-14(10-8-13)21-11-15(16(19)20-3)17-12(2)18/h7-10,15H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyITOHYMXSLAWINS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds8

About methyl 2-acetamido-3-(4-butylphenoxy)propanoate

methyl 2-acetamido-3-(4-butylphenoxy)propanoate (PubChem CID 115492132) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-acetamido-3-(4-butylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(4-butylphenoxy)propanoate
PubChem CID115492132
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-acetamido-3-(4-butylphenoxy)propanoate
SMILESCCCCc1ccc(OCC(NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-4-5-6-13-7-9-14(10-8-13)21-11-15(16(19)20-3)17-12(2)18/h7-10,15H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyITOHYMXSLAWINS-UHFFFAOYSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(4-butylanilino)propanoate
CID 103237589
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
methyl 2-acetamido-3-(4-nitrophenoxy)propanoate
CID 65441583
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
methyl (2S)-2-acetamido-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoate
CID 90896775
methyl (4-octylphenyl) carbonate
CID 118690298
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
(4-decylphenyl) methyl carbonate
CID 118690238

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(4-butylphenoxy)propanoate?
The IUPAC name of methyl 2-acetamido-3-(4-butylphenoxy)propanoate (CID 115492132) is methyl 2-acetamido-3-(4-butylphenoxy)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(4-butylphenoxy)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(4-butylphenoxy)propanoate is CCCCc1ccc(OCC(NC(C)=O)C(=O)OC)cc1.
What is the InChIKey of methyl 2-acetamido-3-(4-butylphenoxy)propanoate?
The InChIKey is ITOHYMXSLAWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-6-13-7-9-14(10-8-13)21-11-15(16(19)20-3)17-12(2)18/h7-10,15H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-acetamido-3-(4-butylphenoxy)propanoate?
methyl 2-acetamido-3-(4-butylphenoxy)propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(4-butylphenoxy)propanoate is sourced from PubChem (CID 115492132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).