methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate

C18H24N2O8 — CID 70130679

IUPACmethyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccccc1N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C18H24N2O8/c1-25-15(21)9-19(10-16(22)26-2)13-7-5-6-8-14(13)20(11-17(23)27-3)12-18(24)28-4/h5-8H,9-12H2,1-4H3
InChIKeyKNGQMFHKXKHNCK-UHFFFAOYSA-N
MW396.40 g/mol
LogP-0.01
Rot. Bonds10

About methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate

methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate (PubChem CID 70130679) has the molecular formula C18H24N2O8 and a molecular weight of 396.40 g/mol. Its IUPAC name is methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
PubChem CID70130679
Molecular FormulaC18H24N2O8
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Namemethyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccccc1N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C18H24N2O8/c1-25-15(21)9-19(10-16(22)26-2)13-7-5-6-8-14(13)20(11-17(23)27-3)12-18(24)28-4/h5-8H,9-12H2,1-4H3
InChIKeyKNGQMFHKXKHNCK-UHFFFAOYSA-N
XLogP-0.01
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate with MolForge

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Related Compounds

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
CID 174634423
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate
CID 20667410
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112
2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride
CID 156579956
methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103204961
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
methyl 2-(2-carbamothioyl-N-methylanilino)acetate
CID 28602163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate?
The IUPAC name of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate (CID 70130679) is methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate.
What is the SMILES notation for methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate?
The canonical SMILES for methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate is COC(=O)CN(CC(=O)OC)c1ccccc1N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate?
The InChIKey is KNGQMFHKXKHNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8/c1-25-15(21)9-19(10-16(22)26-2)13-7-5-6-8-14(13)20(11-17(23)27-3)12-18(24)28-4/h5-8H,9-12H2,1-4H3.
What are the key properties of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate?
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate has a molecular weight of 396.40 g/mol, XLogP of -0.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate is sourced from PubChem (CID 70130679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).