methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate

C14H22N2O3 — CID 63053805

IUPACmethyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
SMILESCNC(CCN(C)c1ccccc1OC)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-15-11(14(17)19-4)9-10-16(2)12-7-5-6-8-13(12)18-3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyJRZYQQJOHQTXGV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.28
Rot. Bonds7

About methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate

methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate (PubChem CID 63053805) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
PubChem CID63053805
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
SMILESCNC(CCN(C)c1ccccc1OC)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-15-11(14(17)19-4)9-10-16(2)12-7-5-6-8-13(12)18-3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyJRZYQQJOHQTXGV-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
CID 63053456
methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346
4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
CID 63053276
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
2-methoxy-N-methyl-N-propylaniline
CID 23198488
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65247680
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
CID 63029737
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
CID 65486136
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate (CID 63053805) is methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate is CNC(CCN(C)c1ccccc1OC)C(=O)OC.
What is the InChIKey of methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate?
The InChIKey is JRZYQQJOHQTXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-11(14(17)19-4)9-10-16(2)12-7-5-6-8-13(12)18-3/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate?
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate has a molecular weight of 266.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate is sourced from PubChem (CID 63053805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).