N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

C16H22N2O4 — CID 51326046

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)c2ccc3c(c2)OCO3)CC(C)O1
InChIInChI=1S/C16H22N2O4/c1-10-7-18(8-11(2)22-10)16(19)17-12(3)13-4-5-14-15(6-13)21-9-20-14/h4-6,10-12H,7-9H2,1-3H3,(H,17,19)
InChIKeyFSFWUUNOVHVTOP-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.30
Rot. Bonds2

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 51326046) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID51326046
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)c2ccc3c(c2)OCO3)CC(C)O1
InChIInChI=1S/C16H22N2O4/c1-10-7-18(8-11(2)22-10)16(19)17-12(3)13-4-5-14-15(6-13)21-9-20-14/h4-6,10-12H,7-9H2,1-3H3,(H,17,19)
InChIKeyFSFWUUNOVHVTOP-UHFFFAOYSA-N
XLogP2.30
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-ylamino)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25360335
(2S)-2-(1,3-benzodioxol-5-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25360336
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 136527189
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 35071968
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833
N-[1-(1,3-benzodioxol-5-yl)ethyl]imidazole-1-carboxamide
CID 81257632
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylurea
CID 47139460
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 38290576
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (CID 51326046) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)NC(C)c2ccc3c(c2)OCO3)CC(C)O1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is FSFWUUNOVHVTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-7-18(8-11(2)22-10)16(19)17-12(3)13-4-5-14-15(6-13)21-9-20-14/h4-6,10-12H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 51326046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).