ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate

C15H23NO4 — CID 64669981

IUPACethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate
SMILESCCOC(=O)C(CC)NCc1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-13(15(17)20-6-2)16-10-11-7-8-12(18-3)9-14(11)19-4/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyPJPGTXQWXBMLPN-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds8

About ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate

ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate (PubChem CID 64669981) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate
PubChem CID64669981
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate
SMILESCCOC(=O)C(CC)NCc1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-13(15(17)20-6-2)16-10-11-7-8-12(18-3)9-14(11)19-4/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyPJPGTXQWXBMLPN-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,4-dimethoxyphenyl)methylamino]hexanoic acid
CID 120511723
(4S)-5-amino-4-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 67333483
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
tert-butyl (2S,3S)-2-[(2,4-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 75449925
(2,4-dimethoxyphenyl)methylurea
CID 53362457
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173
ethyl (2S)-2-acetamido-3-[4-[(2,4-dimethoxyphenyl)methylsulfamoylmethyl]phenyl]propanoate
CID 11974799
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
3-[(2,4-dimethoxyphenyl)methylamino]pentanenitrile
CID 62646215
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate?
The IUPAC name of ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate (CID 64669981) is ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate.
What is the SMILES notation for ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate?
The canonical SMILES for ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate is CCOC(=O)C(CC)NCc1ccc(OC)cc1OC.
What is the InChIKey of ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate?
The InChIKey is PJPGTXQWXBMLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-13(15(17)20-6-2)16-10-11-7-8-12(18-3)9-14(11)19-4/h7-9,13,16H,5-6,10H2,1-4H3.
What are the key properties of ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate?
ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate has a molecular weight of 281.35 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate is sourced from PubChem (CID 64669981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).