1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide

C17H26N2O2 — CID 114827880

IUPAC1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccccc2CC)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-5-12-9-7-8-10-13(12)19-15(20)17(18)11-14(21-6-2)16(17,3)4/h7-10,14H,5-6,11,18H2,1-4H3,(H,19,20)
InChIKeyNXHSZTSANJRACP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds5

About 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114827880) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114827880
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccccc2CC)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-5-12-9-7-8-10-13(12)19-15(20)17(18)11-14(21-6-2)16(17,3)4/h7-10,14H,5-6,11,18H2,1-4H3,(H,19,20)
InChIKeyNXHSZTSANJRACP-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
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-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 114827880) is 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2ccccc2CC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is NXHSZTSANJRACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-12-9-7-8-10-13(12)19-15(20)17(18)11-14(21-6-2)16(17,3)4/h7-10,14H,5-6,11,18H2,1-4H3,(H,19,20).
What are the key properties of 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).