N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide

C18H33NO3 — CID 75471046

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide
SMILESCCC1(CC)C(OC)CC1N(C)C(=O)C1CC(C)OC(C)C1
InChIInChI=1S/C18H33NO3/c1-7-18(8-2)15(11-16(18)21-6)19(5)17(20)14-9-12(3)22-13(4)10-14/h12-16H,7-11H2,1-6H3
InChIKeyVCCFGDPMDSVXFM-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.24
Rot. Bonds5

About N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide

N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide (PubChem CID 75471046) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide
PubChem CID75471046
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide
SMILESCCC1(CC)C(OC)CC1N(C)C(=O)C1CC(C)OC(C)C1
InChIInChI=1S/C18H33NO3/c1-7-18(8-2)15(11-16(18)21-6)19(5)17(20)14-9-12(3)22-13(4)10-14/h12-16H,7-11H2,1-6H3
InChIKeyVCCFGDPMDSVXFM-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide (CID 75471046) is N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide is CCC1(CC)C(OC)CC1N(C)C(=O)C1CC(C)OC(C)C1.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide?
The InChIKey is VCCFGDPMDSVXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-7-18(8-2)15(11-16(18)21-6)19(5)17(20)14-9-12(3)22-13(4)10-14/h12-16H,7-11H2,1-6H3.
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide is sourced from PubChem (CID 75471046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).