2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide

C18H27N5O3 — CID 75478394

IUPAC2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CNc2ncn(C(C)(C)C)n2)cc1OC
InChIInChI=1S/C18H27N5O3/c1-6-19-16(24)11-26-14-8-7-13(9-15(14)25-5)10-20-17-21-12-23(22-17)18(2,3)4/h7-9,12H,6,10-11H2,1-5H3,(H,19,24)(H,20,22)
InChIKeyLAENSTHOHVTIHL-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.17
Rot. Bonds8

About 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide

2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide (PubChem CID 75478394) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
PubChem CID75478394
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CNc2ncn(C(C)(C)C)n2)cc1OC
InChIInChI=1S/C18H27N5O3/c1-6-19-16(24)11-26-14-8-7-13(9-15(14)25-5)10-20-17-21-12-23(22-17)18(2,3)4/h7-9,12H,6,10-11H2,1-5H3,(H,19,24)(H,20,22)
InChIKeyLAENSTHOHVTIHL-UHFFFAOYSA-N
XLogP2.17
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide with MolForge

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Related Compounds

N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
2-[4-[[(N-tert-butyl-N'-methylcarbamimidoyl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 110964136
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
CID 122129258
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide (CID 75478394) is 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(CNc2ncn(C(C)(C)C)n2)cc1OC.
What is the InChIKey of 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The InChIKey is LAENSTHOHVTIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-6-19-16(24)11-26-14-8-7-13(9-15(14)25-5)10-20-17-21-12-23(22-17)18(2,3)4/h7-9,12H,6,10-11H2,1-5H3,(H,19,24)(H,20,22).
What are the key properties of 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide has a molecular weight of 361.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 75478394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).