methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate

C16H26N2O3 — CID 65486136

IUPACmethyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
SMILESCNC(CN(C)C(C)Cc1ccccc1OC)C(=O)OC
InChIInChI=1S/C16H26N2O3/c1-12(10-13-8-6-7-9-15(13)20-4)18(3)11-14(17-2)16(19)21-5/h6-9,12,14,17H,10-11H2,1-5H3
InChIKeyDXFCPEPYMAIDFK-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.32
Rot. Bonds8

About methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate

methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate (PubChem CID 65486136) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
PubChem CID65486136
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Namemethyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
SMILESCNC(CN(C)C(C)Cc1ccccc1OC)C(=O)OC
InChIInChI=1S/C16H26N2O3/c1-12(10-13-8-6-7-9-15(13)20-4)18(3)11-14(17-2)16(19)21-5/h6-9,12,14,17H,10-11H2,1-5H3
InChIKeyDXFCPEPYMAIDFK-UHFFFAOYSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate 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

1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
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
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
N-[1-(2-methoxyphenyl)propan-2-yl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070828
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate?
The IUPAC name of methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate (CID 65486136) is methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate is CNC(CN(C)C(C)Cc1ccccc1OC)C(=O)OC.
What is the InChIKey of methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate?
The InChIKey is DXFCPEPYMAIDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(10-13-8-6-7-9-15(13)20-4)18(3)11-14(17-2)16(19)21-5/h6-9,12,14,17H,10-11H2,1-5H3.
What are the key properties of methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate?
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate has a molecular weight of 294.40 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate is sourced from PubChem (CID 65486136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).