N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide

C14H25NO3 — CID 99779173

IUPACN-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide
SMILESCCO[C@@H]1C[C@@](O)(CNC(=O)C2CCC2)C1(C)C
InChIInChI=1S/C14H25NO3/c1-4-18-11-8-14(17,13(11,2)3)9-15-12(16)10-6-5-7-10/h10-11,17H,4-9H2,1-3H3,(H,15,16)/t11-,14-/m1/s1
InChIKeyFCWQMEKTUDGHDA-BXUZGUMPSA-N
MW255.36 g/mol
LogP1.47
Rot. Bonds5

About N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide

N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide (PubChem CID 99779173) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide
PubChem CID99779173
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide
SMILESCCO[C@@H]1C[C@@](O)(CNC(=O)C2CCC2)C1(C)C
InChIInChI=1S/C14H25NO3/c1-4-18-11-8-14(17,13(11,2)3)9-15-12(16)10-6-5-7-10/h10-11,17H,4-9H2,1-3H3,(H,15,16)/t11-,14-/m1/s1
InChIKeyFCWQMEKTUDGHDA-BXUZGUMPSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide (CID 99779173) is N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide is CCO[C@@H]1C[C@@](O)(CNC(=O)C2CCC2)C1(C)C.
What is the InChIKey of N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide?
The InChIKey is FCWQMEKTUDGHDA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-18-11-8-14(17,13(11,2)3)9-15-12(16)10-6-5-7-10/h10-11,17H,4-9H2,1-3H3,(H,15,16)/t11-,14-/m1/s1.
What are the key properties of N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide?
N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 99779173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).