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

C15H30N2O3 — CID 106147921

IUPAC1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)(C)CCO)C1(C)C
InChIInChI=1S/C15H30N2O3/c1-6-20-11-9-15(16,14(11,4)5)12(19)17-10-13(2,3)7-8-18/h11,18H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyAAWBXZGUSWIBDT-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.04
Rot. Bonds7

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

1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 106147921) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID106147921
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)(C)CCO)C1(C)C
InChIInChI=1S/C15H30N2O3/c1-6-20-11-9-15(16,14(11,4)5)12(19)17-10-13(2,3)7-8-18/h11,18H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyAAWBXZGUSWIBDT-UHFFFAOYSA-N
XLogP1.04
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 106147921) is 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(C)(C)CCO)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is AAWBXZGUSWIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-20-11-9-15(16,14(11,4)5)12(19)17-10-13(2,3)7-8-18/h11,18H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 106147921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).