N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide

C15H28N2O3 — CID 95906641

IUPACN-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide
SMILESCCNC(=O)CCCC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-6-16-12(18)8-7-9-13(19)17-11-10-15(4,20-5)14(11,2)3/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)/t11-,15+/m0/s1
InChIKeyYFDAYFFEAXWRJK-XHDPSFHLSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds7

About N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide

N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide (PubChem CID 95906641) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide
PubChem CID95906641
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide
SMILESCCNC(=O)CCCC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-6-16-12(18)8-7-9-13(19)17-11-10-15(4,20-5)14(11,2)3/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)/t11-,15+/m0/s1
InChIKeyYFDAYFFEAXWRJK-XHDPSFHLSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide?
The IUPAC name of N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide (CID 95906641) is N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide.
What is the SMILES notation for N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide?
The canonical SMILES for N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide is CCNC(=O)CCCC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C.
What is the InChIKey of N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide?
The InChIKey is YFDAYFFEAXWRJK-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-16-12(18)8-7-9-13(19)17-11-10-15(4,20-5)14(11,2)3/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)/t11-,15+/m0/s1.
What are the key properties of N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide?
N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide has a molecular weight of 284.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]pentanediamide is sourced from PubChem (CID 95906641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).