1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide

C16H24N2O3 — CID 114827748

IUPAC1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccc(OC)cc2)C1(C)C
InChIInChI=1S/C16H24N2O3/c1-5-21-13-10-16(17,15(13,2)3)14(19)18-11-6-8-12(20-4)9-7-11/h6-9,13H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyOMUYCPUNTJAHSL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.17
Rot. Bonds5

About 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114827748) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114827748
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccc(OC)cc2)C1(C)C
InChIInChI=1S/C16H24N2O3/c1-5-21-13-10-16(17,15(13,2)3)14(19)18-11-6-8-12(20-4)9-7-11/h6-9,13H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyOMUYCPUNTJAHSL-UHFFFAOYSA-N
XLogP2.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 114827748) is 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2ccc(OC)cc2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is OMUYCPUNTJAHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-13-10-16(17,15(13,2)3)14(19)18-11-6-8-12(20-4)9-7-11/h6-9,13H,5,10,17H2,1-4H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114827748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).