(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide

C16H21N3O4 — CID 97098697

IUPAC(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide
SMILESCCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1
InChIInChI=1S/C16H21N3O4/c1-2-7-19(15(20)12-8-17-16(21)18-12)9-11-10-22-13-5-3-4-6-14(13)23-11/h3-6,11-12H,2,7-10H2,1H3,(H2,17,18,21)/t11-,12-/m1/s1
InChIKeyLKSLKQLFIFPFAS-VXGBXAGGSA-N
MW319.36 g/mol
LogP0.75
Rot. Bonds5

About (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide

(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide (PubChem CID 97098697) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide
PubChem CID97098697
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide
SMILESCCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1
InChIInChI=1S/C16H21N3O4/c1-2-7-19(15(20)12-8-17-16(21)18-12)9-11-10-22-13-5-3-4-6-14(13)23-11/h3-6,11-12H,2,7-10H2,1H3,(H2,17,18,21)/t11-,12-/m1/s1
InChIKeyLKSLKQLFIFPFAS-VXGBXAGGSA-N
XLogP0.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propyloxolane-2-carboxamide
CID 120783912
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide;hydrochloride
CID 119268330
2-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide
CID 112793656
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpropanamide;hydrochloride
CID 119268328
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propylpyridine-2-carboxamide
CID 94332608
3-cyclopropyl-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea
CID 7945176
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291108
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291099
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide
CID 97027878
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 112793607
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 112793621
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152365

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide (CID 97098697) is (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide is CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1.
What is the InChIKey of (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide?
The InChIKey is LKSLKQLFIFPFAS-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-2-7-19(15(20)12-8-17-16(21)18-12)9-11-10-22-13-5-3-4-6-14(13)23-11/h3-6,11-12H,2,7-10H2,1H3,(H2,17,18,21)/t11-,12-/m1/s1.
What are the key properties of (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide?
(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide is sourced from PubChem (CID 97098697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).