tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate

C21H34N2O5 — CID 19688067

IUPACtert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate
SMILESCOc1cc(C)cc(OC)c1N(CCC(C)C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O5/c1-14(2)9-10-23(18(24)13-22-20(25)28-21(4,5)6)19-16(26-7)11-15(3)12-17(19)27-8/h11-12,14H,9-10,13H2,1-8H3,(H,22,25)
InChIKeyASCYQYRUCXQDNP-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.92
Rot. Bonds8

About tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate (PubChem CID 19688067) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate
PubChem CID19688067
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Nametert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate
SMILESCOc1cc(C)cc(OC)c1N(CCC(C)C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O5/c1-14(2)9-10-23(18(24)13-22-20(25)28-21(4,5)6)19-16(26-7)11-15(3)12-17(19)27-8/h11-12,14H,9-10,13H2,1-8H3,(H,22,25)
InChIKeyASCYQYRUCXQDNP-UHFFFAOYSA-N
XLogP3.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-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

methyl 2-[[2-(3,5-dimethylphenyl)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetate
CID 18015262
tert-butyl N-[(2,6-dimethoxy-4-methylphenyl)methyl]-N-(3-methylbutylcarbamoyl)carbamate
CID 67668950
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
methyl 2-[[2-(3,4-dimethylphenyl)-2-[5-methylhexan-2-yl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetate
CID 18020167
tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015308
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-pentylamino]-2-oxoethyl]carbamate
CID 18019241
tert-butyl N-(7-chloro-6-methoxyquinolin-2-yl)-N-(3-methylbutyl)carbamate
CID 165122546
tert-butyl N-[2-[[2-(benzylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015254
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]-pentylamino]-2-oxoethyl]carbamate
CID 18019242
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate (CID 19688067) is tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate is COc1cc(C)cc(OC)c1N(CCC(C)C)C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate?
The InChIKey is ASCYQYRUCXQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-14(2)9-10-23(18(24)13-22-20(25)28-21(4,5)6)19-16(26-7)11-15(3)12-17(19)27-8/h11-12,14H,9-10,13H2,1-8H3,(H,22,25).
What are the key properties of tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate has a molecular weight of 394.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 19688067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).