(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide

C14H26N2O3 — CID 125146580

IUPAC(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)[C@@H]2COCCN2)C[C@H]1OC
InChIInChI=1S/C14H26N2O3/c1-4-14(5-2)11(8-12(14)18-3)16-13(17)10-9-19-7-6-15-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12+/m0/s1
InChIKeyLXBFHAQJBCDGRC-QJPTWQEYSA-N
MW270.37 g/mol
LogP0.68
Rot. Bonds5

About (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide

(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide (PubChem CID 125146580) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide
PubChem CID125146580
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)[C@@H]2COCCN2)C[C@H]1OC
InChIInChI=1S/C14H26N2O3/c1-4-14(5-2)11(8-12(14)18-3)16-13(17)10-9-19-7-6-15-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12+/m0/s1
InChIKeyLXBFHAQJBCDGRC-QJPTWQEYSA-N
XLogP0.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide (CID 125146580) is (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide is CCC1(CC)[C@H](NC(=O)[C@@H]2COCCN2)C[C@H]1OC.
What is the InChIKey of (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide?
The InChIKey is LXBFHAQJBCDGRC-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(5-2)11(8-12(14)18-3)16-13(17)10-9-19-7-6-15-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12+/m0/s1.
What are the key properties of (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide?
(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide is sourced from PubChem (CID 125146580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).