oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate

C14H24N2O4 — CID 71154595

IUPACoxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCC1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O4/c1-2-13(16-5-9-19-10-6-16)15-14(17)20-11-12-3-7-18-8-4-12/h12H,2-11H2,1H3
InChIKeyINHYHNVKKFXBHT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds3

About oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate

oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate (PubChem CID 71154595) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Nameoxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
PubChem CID71154595
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameoxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCC1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O4/c1-2-13(16-5-9-19-10-6-16)15-14(17)20-11-12-3-7-18-8-4-12/h12H,2-11H2,1H3
InChIKeyINHYHNVKKFXBHT-UHFFFAOYSA-N
XLogP1.69
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228095
3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154669
(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228112
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228150

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate (CID 71154595) is oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate is CCC(=NC(=O)OCC1CCOCC1)N1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is INHYHNVKKFXBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-13(16-5-9-19-10-6-16)15-14(17)20-11-12-3-7-18-8-4-12/h12H,2-11H2,1H3.
What are the key properties of oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate?
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 284.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 71154595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).