N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide

C18H27N3O3 — CID 119852924

IUPACN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)C2CNCCO2)CC(C)O1
InChIInChI=1S/C18H27N3O3/c1-13-10-21(11-14(2)24-13)12-15-5-3-4-6-16(15)20-18(22)17-9-19-7-8-23-17/h3-6,13-14,17,19H,7-12H2,1-2H3,(H,20,22)
InChIKeyZORNUXAJAZUYKD-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.22
Rot. Bonds4

About N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide (PubChem CID 119852924) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
PubChem CID119852924
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)C2CNCCO2)CC(C)O1
InChIInChI=1S/C18H27N3O3/c1-13-10-21(11-14(2)24-13)12-15-5-3-4-6-16(15)20-18(22)17-9-19-7-8-23-17/h3-6,13-14,17,19H,7-12H2,1-2H3,(H,20,22)
InChIKeyZORNUXAJAZUYKD-UHFFFAOYSA-N
XLogP1.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119840489
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide (CID 119852924) is N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide is CC1CN(Cc2ccccc2NC(=O)C2CNCCO2)CC(C)O1.
What is the InChIKey of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide?
The InChIKey is ZORNUXAJAZUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-10-21(11-14(2)24-13)12-15-5-3-4-6-16(15)20-18(22)17-9-19-7-8-23-17/h3-6,13-14,17,19H,7-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide?
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119852924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).