(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide

C21H32N2O4 — CID 70649305

IUPAC(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide
SMILESCCCOC(C(=O)Nc1ccc2c(c1)OCCO2)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H32N2O4/c1-2-10-27-20(17(22)13-15-6-4-3-5-7-15)21(24)23-16-8-9-18-19(14-16)26-12-11-25-18/h8-9,14-15,17,20H,2-7,10-13,22H2,1H3,(H,23,24)/t17-,20?/m1/s1
InChIKeyWXYLIJOZDMGIEO-DIAVIDTQSA-N
MW376.50 g/mol
LogP3.49
Rot. Bonds8

About (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide

(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide (PubChem CID 70649305) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide
PubChem CID70649305
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide
SMILESCCCOC(C(=O)Nc1ccc2c(c1)OCCO2)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H32N2O4/c1-2-10-27-20(17(22)13-15-6-4-3-5-7-15)21(24)23-16-8-9-18-19(14-16)26-12-11-25-18/h8-9,14-15,17,20H,2-7,10-13,22H2,1H3,(H,23,24)/t17-,20?/m1/s1
InChIKeyWXYLIJOZDMGIEO-DIAVIDTQSA-N
XLogP3.49
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide with MolForge

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Related Compounds

2-(cyclohexylmethylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60603562
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
CID 130340204
2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
CID 112735210
cyclopentyl-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-dimethylazanium
CID 8875769
cyclopentyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-dimethylazanium
CID 8875771
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide
CID 81086085
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
CID 7311214
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 42900718
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium
CID 7311213

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide (CID 70649305) is (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide is CCCOC(C(=O)Nc1ccc2c(c1)OCCO2)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide?
The InChIKey is WXYLIJOZDMGIEO-DIAVIDTQSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-2-10-27-20(17(22)13-15-6-4-3-5-7-15)21(24)23-16-8-9-18-19(14-16)26-12-11-25-18/h8-9,14-15,17,20H,2-7,10-13,22H2,1H3,(H,23,24)/t17-,20?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide has a molecular weight of 376.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide is sourced from PubChem (CID 70649305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).