1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide

C18H25NO4 — CID 91780944

IUPAC1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccccc2)CCC1
InChIInChI=1S/C18H25NO4/c1-21-13-18(9-5-10-18)17(20)19-15-12-22-11-8-16(15)23-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyFTWGHHKQXMUXMK-CVEARBPZSA-N
MW319.40 g/mol
LogP2.16
Rot. Bonds6

About 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide (PubChem CID 91780944) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide
PubChem CID91780944
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccccc2)CCC1
InChIInChI=1S/C18H25NO4/c1-21-13-18(9-5-10-18)17(20)19-15-12-22-11-8-16(15)23-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyFTWGHHKQXMUXMK-CVEARBPZSA-N
XLogP2.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide (CID 91780944) is 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide is COCC1(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccccc2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide?
The InChIKey is FTWGHHKQXMUXMK-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25NO4/c1-21-13-18(9-5-10-18)17(20)19-15-12-22-11-8-16(15)23-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 91780944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).