tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate

C19H28N2O6 — CID 146142219

IUPACtert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
SMILESCOc1ccc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(OC)c1OC
InChIInChI=1S/C19H28N2O6/c1-19(2,3)27-18(23)21-12-9-11(10-12)20-17(22)13-7-8-14(24-4)16(26-6)15(13)25-5/h7-8,11-12H,9-10H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyFPDOKPKLLRLUQO-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.50
Rot. Bonds6

About tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate (PubChem CID 146142219) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
PubChem CID146142219
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Nametert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
SMILESCOc1ccc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(OC)c1OC
InChIInChI=1S/C19H28N2O6/c1-19(2,3)27-18(23)21-12-9-11(10-12)20-17(22)13-7-8-14(24-4)16(26-6)15(13)25-5/h7-8,11-12H,9-10H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyFPDOKPKLLRLUQO-UHFFFAOYSA-N
XLogP2.50
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
CID 178183775
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate (CID 146142219) is tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate is COc1ccc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(OC)c1OC.
What is the InChIKey of tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate?
The InChIKey is FPDOKPKLLRLUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-19(2,3)27-18(23)21-12-9-11(10-12)20-17(22)13-7-8-14(24-4)16(26-6)15(13)25-5/h7-8,11-12H,9-10H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate has a molecular weight of 380.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 146142219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).