benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate

C15H22N2O3 — CID 110710538

IUPACbenzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
SMILESCN1CCOC(CN(C)C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-16-8-9-19-14(10-16)11-17(2)15(18)20-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyMCCOBWVXAAPUDY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds4

About benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate

benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate (PubChem CID 110710538) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
PubChem CID110710538
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
SMILESCN1CCOC(CN(C)C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-16-8-9-19-14(10-16)11-17(2)15(18)20-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyMCCOBWVXAAPUDY-UHFFFAOYSA-N
XLogP1.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
CID 110752436
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
CID 110741577
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110710559
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
3-(4-methoxyphenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 110710544
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 110710533
benzyl N-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamate
CID 139419850
benzyl N-[[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 96553927

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate (CID 110710538) is benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate is CN1CCOC(CN(C)C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate?
The InChIKey is MCCOBWVXAAPUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-8-9-19-14(10-16)11-17(2)15(18)20-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate?
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate is sourced from PubChem (CID 110710538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).