tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate

C20H27N5O4 — CID 146099072

IUPACtert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccccc1C(CNC(=O)c1cn(C2CC2)nn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H27N5O4/c1-20(2,3)29-19(27)22-15(14-7-5-6-8-17(14)28-4)11-21-18(26)16-12-25(24-23-16)13-9-10-13/h5-8,12-13,15H,9-11H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyRKAMOERSVGOQLE-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.62
Rot. Bonds7

About tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate

tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate (PubChem CID 146099072) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate
PubChem CID146099072
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Nametert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccccc1C(CNC(=O)c1cn(C2CC2)nn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H27N5O4/c1-20(2,3)29-19(27)22-15(14-7-5-6-8-17(14)28-4)11-21-18(26)16-12-25(24-23-16)13-9-10-13/h5-8,12-13,15H,9-11H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyRKAMOERSVGOQLE-UHFFFAOYSA-N
XLogP2.62
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate with MolForge

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Related Compounds

3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
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CID 42238606
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43066149
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119747043
1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26326480
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
N-(2-methylpropyl)-1-[4-[(3,4,5-trimethoxyphenyl)methylamino]cyclohexyl]triazole-4-carboxamide
CID 26347730
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate (CID 146099072) is tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate is COc1ccccc1C(CNC(=O)c1cn(C2CC2)nn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate?
The InChIKey is RKAMOERSVGOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-20(2,3)29-19(27)22-15(14-7-5-6-8-17(14)28-4)11-21-18(26)16-12-25(24-23-16)13-9-10-13/h5-8,12-13,15H,9-11H2,1-4H3,(H,21,26)(H,22,27).
What are the key properties of tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-cyclopropyltriazole-4-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 146099072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).