2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate

C12H22N2O4 — CID 142123394

IUPAC2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCOCCOC(=O)/N=C(/C(C)C)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-10(2)11(14-4-6-17-7-5-14)13-12(15)18-9-8-16-3/h10H,4-9H2,1-3H3/b13-11-
InChIKeyNTRJEGREMCAUQF-QBFSEMIESA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds4

About 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate

2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 142123394) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID142123394
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCOCCOC(=O)/N=C(/C(C)C)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-10(2)11(14-4-6-17-7-5-14)13-12(15)18-9-8-16-3/h10H,4-9H2,1-3H3/b13-11-
InChIKeyNTRJEGREMCAUQF-QBFSEMIESA-N
XLogP1.16
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228112
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)morpholine-4-carboxamide
CID 115672440
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
N-(2-hydroxyethyl)-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 115608967
3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111036986
2-(4-methoxybutylamino)-1-morpholin-4-ylethanone
CID 60975832
N-amino-N'-(1-methoxypropan-2-yl)morpholine-4-carboximidamide
CID 104883236

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate (CID 142123394) is 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate is COCCOC(=O)/N=C(/C(C)C)N1CCOCC1.
What is the InChIKey of 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is NTRJEGREMCAUQF-QBFSEMIESA-N. The full InChI is InChI=1S/C12H22N2O4/c1-10(2)11(14-4-6-17-7-5-14)13-12(15)18-9-8-16-3/h10H,4-9H2,1-3H3/b13-11-.
What are the key properties of 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 258.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 142123394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).