N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide

C12H22N2O4 — CID 114949080

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1COCCN1
InChIInChI=1S/C12H22N2O4/c1-14(9-12(16)2-5-17-6-3-12)11(15)10-8-18-7-4-13-10/h10,13,16H,2-9H2,1H3
InChIKeyBOWMGAAMDCTYEW-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.03
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 114949080) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID114949080
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1COCCN1
InChIInChI=1S/C12H22N2O4/c1-14(9-12(16)2-5-17-6-3-12)11(15)10-8-18-7-4-13-10/h10,13,16H,2-9H2,1H3
InChIKeyBOWMGAAMDCTYEW-UHFFFAOYSA-N
XLogP-1.03
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 105338653
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 115760131
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
4-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpiperidine-2-carboxamide
CID 114948966
N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
CID 115177671
N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
CID 115177679

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide (CID 114949080) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide is CN(CC1(O)CCOCC1)C(=O)C1COCCN1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is BOWMGAAMDCTYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-14(9-12(16)2-5-17-6-3-12)11(15)10-8-18-7-4-13-10/h10,13,16H,2-9H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 114949080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).