methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate

C23H30N2O5 — CID 47548926

IUPACmethyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCCN(Cc1ccccc1)C(=O)CN(CC(=O)OC)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H30N2O5/c1-5-25(15-18-9-7-6-8-10-18)22(26)16-24(17-23(27)30-4)14-19-11-20(28-2)13-21(12-19)29-3/h6-13H,5,14-17H2,1-4H3
InChIKeyFKYLNUNDADFCMW-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.73
Rot. Bonds11

About methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate

methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate (PubChem CID 47548926) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
PubChem CID47548926
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namemethyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCCN(Cc1ccccc1)C(=O)CN(CC(=O)OC)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H30N2O5/c1-5-25(15-18-9-7-6-8-10-18)22(26)16-24(17-23(27)30-4)14-19-11-20(28-2)13-21(12-19)29-3/h6-13H,5,14-17H2,1-4H3
InChIKeyFKYLNUNDADFCMW-UHFFFAOYSA-N
XLogP2.73
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate with MolForge

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Related Compounds

N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
methyl 2-[[3-(2-cyanoanilino)-3-oxopropyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 56526040
methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548923
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
CID 142841781
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate (CID 47548926) is methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate is CCN(Cc1ccccc1)C(=O)CN(CC(=O)OC)Cc1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The InChIKey is FKYLNUNDADFCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-5-25(15-18-9-7-6-8-10-18)22(26)16-24(17-23(27)30-4)14-19-11-20(28-2)13-21(12-19)29-3/h6-13H,5,14-17H2,1-4H3.
What are the key properties of methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate has a molecular weight of 414.50 g/mol, XLogP of 2.73, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 47548926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).