(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C14H23NO4 — CID 128663031

IUPAC(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOC1CC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1OC
InChIInChI=1S/C14H23NO4/c1-3-18-12-7-10(13(12)17-2)15-14(16)9-6-8-4-5-11(9)19-8/h8-13H,3-7H2,1-2H3,(H,15,16)/t8-,9-,10?,11+,12?,13?/m1/s1
InChIKeyPSGJGMSSTXJASV-LDKGPVOJSA-N
MW269.34 g/mol
LogP0.86
Rot. Bonds5

About (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128663031) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128663031
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOC1CC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1OC
InChIInChI=1S/C14H23NO4/c1-3-18-12-7-10(13(12)17-2)15-14(16)9-6-8-4-5-11(9)19-8/h8-13H,3-7H2,1-2H3,(H,15,16)/t8-,9-,10?,11+,12?,13?/m1/s1
InChIKeyPSGJGMSSTXJASV-LDKGPVOJSA-N
XLogP0.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022
(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124730505
1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea
CID 97308195
3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 113364997
N-[(2S)-2-hydroxypropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 130839863
1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea
CID 75457928
4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 113364868
N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 120831827
(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68570977
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154837433
(1R,2S,4R)-N-[2-(4-methoxyphenyl)-2-methylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377795

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 128663031) is (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CCOC1CC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1OC.
What is the InChIKey of (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PSGJGMSSTXJASV-LDKGPVOJSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-18-12-7-10(13(12)17-2)15-14(16)9-6-8-4-5-11(9)19-8/h8-13H,3-7H2,1-2H3,(H,15,16)/t8-,9-,10?,11+,12?,13?/m1/s1.
What are the key properties of (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128663031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).