methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate

C16H25NO3 — CID 115282442

IUPACmethyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
SMILESCCC(NC(C)c1ccccc1OC(C)C)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-6-14(16(18)19-5)17-12(4)13-9-7-8-10-15(13)20-11(2)3/h7-12,14,17H,6H2,1-5H3
InChIKeyUKSHSRMADUXKFY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.08
Rot. Bonds7

About methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate

methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate (PubChem CID 115282442) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
PubChem CID115282442
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
SMILESCCC(NC(C)c1ccccc1OC(C)C)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-6-14(16(18)19-5)17-12(4)13-9-7-8-10-15(13)20-11(2)3/h7-12,14,17H,6H2,1-5H3
InChIKeyUKSHSRMADUXKFY-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
CID 64631767

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate?
The IUPAC name of methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate (CID 115282442) is methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate is CCC(NC(C)c1ccccc1OC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate?
The InChIKey is UKSHSRMADUXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-14(16(18)19-5)17-12(4)13-9-7-8-10-15(13)20-11(2)3/h7-12,14,17H,6H2,1-5H3.
What are the key properties of methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate?
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate has a molecular weight of 279.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate is sourced from PubChem (CID 115282442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).