1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide

C16H25N3O2 — CID 114828502

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCc2cccnc2)C1(C)C
InChIInChI=1S/C16H25N3O2/c1-4-21-13-10-16(17,15(13,2)3)14(20)19-9-7-12-6-5-8-18-11-12/h5-6,8,11,13H,4,7,9-10,17H2,1-3H3,(H,19,20)
InChIKeyKAEPWZXTSUZVHZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.27
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 114828502) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID114828502
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCc2cccnc2)C1(C)C
InChIInChI=1S/C16H25N3O2/c1-4-21-13-10-16(17,15(13,2)3)14(20)19-9-7-12-6-5-8-18-11-12/h5-6,8,11,13H,4,7,9-10,17H2,1-3H3,(H,19,20)
InChIKeyKAEPWZXTSUZVHZ-UHFFFAOYSA-N
XLogP1.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
CID 114828150
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172
1-amino-N-[2-(diethylamino)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827775
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine
CID 109390662
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
2,2-dimethyl-3-(2-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835010
1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 105055820
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide (CID 114828502) is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCc2cccnc2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is KAEPWZXTSUZVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-13-10-16(17,15(13,2)3)14(20)19-9-7-12-6-5-8-18-11-12/h5-6,8,11,13H,4,7,9-10,17H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114828502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).