methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate

C20H24N2O6 — CID 146039955

IUPACmethyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(OC)c(Oc2cccc(OC)c2CN)c1
InChIInChI=1S/C20H24N2O6/c1-25-15-5-4-6-16(14(15)12-21)28-18-11-13(7-8-17(18)26-2)20(24)22-10-9-19(23)27-3/h4-8,11H,9-10,12,21H2,1-3H3,(H,22,24)
InChIKeyDRFOURLZNWTDAQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.25
Rot. Bonds9

About methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate

methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate (PubChem CID 146039955) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate
PubChem CID146039955
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Namemethyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(OC)c(Oc2cccc(OC)c2CN)c1
InChIInChI=1S/C20H24N2O6/c1-25-15-5-4-6-16(14(15)12-21)28-18-11-13(7-8-17(18)26-2)20(24)22-10-9-19(23)27-3/h4-8,11H,9-10,12,21H2,1-3H3,(H,22,24)
InChIKeyDRFOURLZNWTDAQ-UHFFFAOYSA-N
XLogP2.25
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 154921066
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzamide;dihydrochloride
CID 163334930
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate (CID 146039955) is methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(OC)c(Oc2cccc(OC)c2CN)c1.
What is the InChIKey of methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate?
The InChIKey is DRFOURLZNWTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-25-15-5-4-6-16(14(15)12-21)28-18-11-13(7-8-17(18)26-2)20(24)22-10-9-19(23)27-3/h4-8,11H,9-10,12,21H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate?
methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate has a molecular weight of 388.42 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate is sourced from PubChem (CID 146039955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).