ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate

C14H22N2O3 — CID 63055390

IUPACethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
SMILESCCOC(=O)C(N)CCN(C)c1cccc(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(17)13(15)8-9-16(2)11-6-5-7-12(10-11)18-3/h5-7,10,13H,4,8-9,15H2,1-3H3
InChIKeyIBIHFXRYDDOHHM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds7

About ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate

ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate (PubChem CID 63055390) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
PubChem CID63055390
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
SMILESCCOC(=O)C(N)CCN(C)c1cccc(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(17)13(15)8-9-16(2)11-6-5-7-12(10-11)18-3/h5-7,10,13H,4,8-9,15H2,1-3H3
InChIKeyIBIHFXRYDDOHHM-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
CID 91311967
2-amino-4-(3-bromo-N-methylanilino)butanoic acid
CID 115241147
2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
CID 62003392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate?
The IUPAC name of ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate (CID 63055390) is ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate?
The canonical SMILES for ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate is CCOC(=O)C(N)CCN(C)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate?
The InChIKey is IBIHFXRYDDOHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(17)13(15)8-9-16(2)11-6-5-7-12(10-11)18-3/h5-7,10,13H,4,8-9,15H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate?
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate has a molecular weight of 266.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate is sourced from PubChem (CID 63055390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).