1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide

C12H21N5O2 — CID 114829707

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ncnn2C)C1(C)C
InChIInChI=1S/C12H21N5O2/c1-5-19-8-6-12(13,11(8,2)3)9(18)16-10-14-7-15-17(10)4/h7-8H,5-6,13H2,1-4H3,(H,14,15,16,18)
InChIKeyONBVQSBCAHZSQK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.29
Rot. Bonds4

About 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 114829707) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide
PubChem CID114829707
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ncnn2C)C1(C)C
InChIInChI=1S/C12H21N5O2/c1-5-19-8-6-12(13,11(8,2)3)9(18)16-10-14-7-15-17(10)4/h7-8H,5-6,13H2,1-4H3,(H,14,15,16,18)
InChIKeyONBVQSBCAHZSQK-UHFFFAOYSA-N
XLogP0.29
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966
1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 105055820
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827748
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829916
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-N-(4-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827956
1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827953

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide (CID 114829707) is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2ncnn2C)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is ONBVQSBCAHZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-19-8-6-12(13,11(8,2)3)9(18)16-10-14-7-15-17(10)4/h7-8H,5-6,13H2,1-4H3,(H,14,15,16,18).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).