methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate

C14H22N2O3 — CID 63055038

IUPACmethyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
SMILESCNC(CCN(C)c1cccc(OC)c1)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-15-13(14(17)19-4)8-9-16(2)11-6-5-7-12(10-11)18-3/h5-7,10,13,15H,8-9H2,1-4H3
InChIKeyNCGOFJJOEDGMHL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.28
Rot. Bonds7

About methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate

methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate (PubChem CID 63055038) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
PubChem CID63055038
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
SMILESCNC(CCN(C)c1cccc(OC)c1)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-15-13(14(17)19-4)8-9-16(2)11-6-5-7-12(10-11)18-3/h5-7,10,13,15H,8-9H2,1-4H3
InChIKeyNCGOFJJOEDGMHL-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

Analyze methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
methyl 4-(N,3-dimethylanilino)-2-(propan-2-ylamino)butanoate
CID 63053650
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
CID 63029737
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate (CID 63055038) is methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate is CNC(CCN(C)c1cccc(OC)c1)C(=O)OC.
What is the InChIKey of methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate?
The InChIKey is NCGOFJJOEDGMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-13(14(17)19-4)8-9-16(2)11-6-5-7-12(10-11)18-3/h5-7,10,13,15H,8-9H2,1-4H3.
What are the key properties of methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate?
methyl 4-(3-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-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate is sourced from PubChem (CID 63055038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).