N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide

C16H22N2O4 — CID 119760050

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CNCCO1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-16(2,9-18-15(19)14-8-17-5-6-20-14)11-3-4-12-13(7-11)22-10-21-12/h3-4,7,14,17H,5-6,8-10H2,1-2H3,(H,18,19)
InChIKeyPFNPDJQCARWQAV-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.80
Rot. Bonds4

About N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide (PubChem CID 119760050) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide
PubChem CID119760050
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CNCCO1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-16(2,9-18-15(19)14-8-17-5-6-20-14)11-3-4-12-13(7-11)22-10-21-12/h3-4,7,14,17H,5-6,8-10H2,1-2H3,(H,18,19)
InChIKeyPFNPDJQCARWQAV-UHFFFAOYSA-N
XLogP0.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880133
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152169
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119787672
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]carbamoyl]benzoic acid
CID 119183117
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119760041
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]oxane-4-carboxamide
CID 113090626
1-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86871002
(2S,4S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120628514
9-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987988
N-(4-hydroxy-2,2-dimethylbutyl)morpholine-2-carboxamide
CID 106147940

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide (CID 119760050) is N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide is CC(C)(CNC(=O)C1CNCCO1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide?
The InChIKey is PFNPDJQCARWQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,9-18-15(19)14-8-17-5-6-20-14)11-3-4-12-13(7-11)22-10-21-12/h3-4,7,14,17H,5-6,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]morpholine-2-carboxamide is sourced from PubChem (CID 119760050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).