ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate

C17H27NO3 — CID 65486472

IUPACethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
SMILESCCOC(=O)C(CC)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C17H27NO3/c1-6-15(17(19)21-7-2)18(4)13(3)12-14-10-8-9-11-16(14)20-5/h8-11,13,15H,6-7,12H2,1-5H3
InChIKeySEEHOLZHZHBXLF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds8

About ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate

ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate (PubChem CID 65486472) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
PubChem CID65486472
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
SMILESCCOC(=O)C(CC)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C17H27NO3/c1-6-15(17(19)21-7-2)18(4)13(3)12-14-10-8-9-11-16(14)20-5/h8-11,13,15H,6-7,12H2,1-5H3
InChIKeySEEHOLZHZHBXLF-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 65488377
4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpentanamide
CID 65487447

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate?
The IUPAC name of ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate (CID 65486472) is ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate.
What is the SMILES notation for ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate?
The canonical SMILES for ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate is CCOC(=O)C(CC)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate?
The InChIKey is SEEHOLZHZHBXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-15(17(19)21-7-2)18(4)13(3)12-14-10-8-9-11-16(14)20-5/h8-11,13,15H,6-7,12H2,1-5H3.
What are the key properties of ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate?
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate has a molecular weight of 293.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate is sourced from PubChem (CID 65486472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).