1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide

C16H25N3O2 — CID 114828150

IUPAC1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)Cc2cccnc2)C1(C)C
InChIInChI=1S/C16H25N3O2/c1-5-21-13-9-16(17,15(13,2)3)14(20)19(4)11-12-7-6-8-18-10-12/h6-8,10,13H,5,9,11,17H2,1-4H3
InChIKeyBRWMBSGNBSEUCM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.57
Rot. Bonds5

About 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 114828150) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
PubChem CID114828150
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)Cc2cccnc2)C1(C)C
InChIInChI=1S/C16H25N3O2/c1-5-21-13-9-16(17,15(13,2)3)14(20)19(4)11-12-7-6-8-18-10-12/h6-8,10,13H,5,9,11,17H2,1-4H3
InChIKeyBRWMBSGNBSEUCM-UHFFFAOYSA-N
XLogP1.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide (CID 114828150) is 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(C)Cc2cccnc2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is BRWMBSGNBSEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-21-13-9-16(17,15(13,2)3)14(20)19(4)11-12-7-6-8-18-10-12/h6-8,10,13H,5,9,11,17H2,1-4H3.
What are the key properties of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114828150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).