tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate

C17H27N3O6 — CID 108866806

IUPACtert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate
SMILESCOc1cc(NC(=O)N(CCN)C(=O)OC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O6/c1-17(2,3)26-16(22)20(8-7-18)15(21)19-11-9-12(23-4)14(25-6)13(10-11)24-5/h9-10H,7-8,18H2,1-6H3,(H,19,21)
InChIKeyWVNLYXKQHQESAA-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.44
Rot. Bonds6

About tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate (PubChem CID 108866806) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate
PubChem CID108866806
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate
SMILESCOc1cc(NC(=O)N(CCN)C(=O)OC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O6/c1-17(2,3)26-16(22)20(8-7-18)15(21)19-11-9-12(23-4)14(25-6)13(10-11)24-5/h9-10H,7-8,18H2,1-6H3,(H,19,21)
InChIKeyWVNLYXKQHQESAA-UHFFFAOYSA-N
XLogP2.44
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]carbamate
CID 108872024
tert-butyl 2-[methyl-[(3,4,5-trimethoxyphenyl)carbamoyl]amino]acetate
CID 5178615
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
CID 108889283
tert-butyl N-[2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109391490
tert-butyl N-(2-aminoethyl)-N-[(2-chloro-6-fluorophenyl)carbamoyl]carbamate
CID 108896714
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]carbamate
CID 108864621
tert-butyl N-(2-aminoethyl)-N-[(3,4-dimethylphenoxy)methylcarbamoyl]carbamate
CID 108879327
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895560
1-(2-cyanoethyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 3643466
N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide
CID 108868017
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate (CID 108866806) is tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate is COc1cc(NC(=O)N(CCN)C(=O)OC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate?
The InChIKey is WVNLYXKQHQESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-17(2,3)26-16(22)20(8-7-18)15(21)19-11-9-12(23-4)14(25-6)13(10-11)24-5/h9-10H,7-8,18H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate is sourced from PubChem (CID 108866806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).