tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate

C16H24N2O5 — CID 118576972

IUPACtert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(N(C)C(=O)CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)17-10-14(19)18(4)11-7-8-12(21-5)13(9-11)22-6/h7-9H,10H2,1-6H3,(H,17,20)
InChIKeyMVEGTEZIUGJNAS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.19
Rot. Bonds5

About tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate (PubChem CID 118576972) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
PubChem CID118576972
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nametert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(N(C)C(=O)CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)17-10-14(19)18(4)11-7-8-12(21-5)13(9-11)22-6/h7-9H,10H2,1-6H3,(H,17,20)
InChIKeyMVEGTEZIUGJNAS-UHFFFAOYSA-N
XLogP2.19
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate 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

tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
(4S)-5-(3,4-dimethoxy-N-methylanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 126673484
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
2-[(2,4-difluorophenyl)carbamothioylamino]-N-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 118577017
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate (CID 118576972) is tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate is COc1ccc(N(C)C(=O)CNC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is MVEGTEZIUGJNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)17-10-14(19)18(4)11-7-8-12(21-5)13(9-11)22-6/h7-9H,10H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 118576972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).