(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide

C21H32N2O4 — CID 99821993

IUPAC(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide
SMILESCCCCN1CCOC[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H32N2O4/c1-4-5-8-23-9-10-25-14-17(23)20(24)22-15-21(2,3)16-6-7-18-19(13-16)27-12-11-26-18/h6-7,13,17H,4-5,8-12,14-15H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyOPOPIISGECZYCY-QGZVFWFLSA-N
MW376.50 g/mol
LogP2.35
Rot. Bonds7

About (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide

(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide (PubChem CID 99821993) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide
PubChem CID99821993
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide
SMILESCCCCN1CCOC[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H32N2O4/c1-4-5-8-23-9-10-25-14-17(23)20(24)22-15-21(2,3)16-6-7-18-19(13-16)27-12-11-26-18/h6-7,13,17H,4-5,8-12,14-15H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyOPOPIISGECZYCY-QGZVFWFLSA-N
XLogP2.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide with MolForge

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 60603703
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]oxane-4-carboxamide
CID 113090626
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880133
4-tert-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 113090593
4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide
CID 102561694
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide
CID 136579753
(2S,4S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120628514
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
CID 113090578
4-(aminomethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119309920
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-phenylacetamide
CID 113090597
1-butyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1,2-dimethylguanidine;hydroiodide
CID 111159622
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetic acid
CID 115218133

Frequently Asked Questions

What is the IUPAC name of (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide (CID 99821993) is (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide is CCCCN1CCOC[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide?
The InChIKey is OPOPIISGECZYCY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-4-5-8-23-9-10-25-14-17(23)20(24)22-15-21(2,3)16-6-7-18-19(13-16)27-12-11-26-18/h6-7,13,17H,4-5,8-12,14-15H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide?
(3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-3-carboxamide is sourced from PubChem (CID 99821993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).