3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide

C13H25N5O2 — CID 103399373

IUPAC3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H25N5O2/c1-13(2,3)18-10-11(16-17-18)9-14-6-5-12(19)15-7-8-20-4/h10,14H,5-9H2,1-4H3,(H,15,19)
InChIKeyBIMWRNHFOQSQAK-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.28
Rot. Bonds8

About 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide

3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 103399373) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID103399373
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H25N5O2/c1-13(2,3)18-10-11(16-17-18)9-14-6-5-12(19)15-7-8-20-4/h10,14H,5-9H2,1-4H3,(H,15,19)
InChIKeyBIMWRNHFOQSQAK-UHFFFAOYSA-N
XLogP0.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103399375
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115625613
tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
CID 103399286
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
CID 103527647
tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103527141
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide (CID 103399373) is 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is BIMWRNHFOQSQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-13(2,3)18-10-11(16-17-18)9-14-6-5-12(19)15-7-8-20-4/h10,14H,5-9H2,1-4H3,(H,15,19).
What are the key properties of 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 103399373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).