tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate

C19H27N5O3 — CID 121427026

IUPACtert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
SMILESCCN(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C19H27N5O3/c1-6-23(14-13-22(5)18(26)27-19(2,3)4)17(25)15-9-7-8-10-16(15)24-20-11-12-21-24/h7-12H,6,13-14H2,1-5H3
InChIKeyOIWCKANJMMWJAB-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.60
Rot. Bonds6

About tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate (PubChem CID 121427026) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
PubChem CID121427026
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nametert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
SMILESCCN(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C19H27N5O3/c1-6-23(14-13-22(5)18(26)27-19(2,3)4)17(25)15-9-7-8-10-16(15)24-20-11-12-21-24/h7-12H,6,13-14H2,1-5H3
InChIKeyOIWCKANJMMWJAB-UHFFFAOYSA-N
XLogP2.60
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-[2-(N-(4,6-dimethylpyrimidin-2-yl)-2-ethylanilino)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416969
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
2-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrimidine-4-carboxylic acid
CID 121413937
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121315771
N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
CID 71468064
1-[2-(triazol-2-yl)phenyl]propan-1-one
CID 70794389
N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 71468063
tert-butyl N-[2-[(3-carbamoyl-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 141414305
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
CID 59846673
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 153437220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate (CID 121427026) is tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate is CCN(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate?
The InChIKey is OIWCKANJMMWJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-6-23(14-13-22(5)18(26)27-19(2,3)4)17(25)15-9-7-8-10-16(15)24-20-11-12-21-24/h7-12H,6,13-14H2,1-5H3.
What are the key properties of tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate has a molecular weight of 373.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 121427026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).