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

C16H24N2O2 — CID 114827931

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccccc2C)C1(C)C
InChIInChI=1S/C16H24N2O2/c1-5-20-13-10-16(17,15(13,3)4)14(19)18-12-9-7-6-8-11(12)2/h6-9,13H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyKZCWBOXHRQLZPS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.47
Rot. Bonds4

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

1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 114827931) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
PubChem CID114827931
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccccc2C)C1(C)C
InChIInChI=1S/C16H24N2O2/c1-5-20-13-10-16(17,15(13,3)4)14(19)18-12-9-7-6-8-11(12)2/h6-9,13H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyKZCWBOXHRQLZPS-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide (CID 114827931) is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2ccccc2C)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is KZCWBOXHRQLZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-20-13-10-16(17,15(13,3)4)14(19)18-12-9-7-6-8-11(12)2/h6-9,13H,5,10,17H2,1-4H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114827931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).