3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide

C18H26N2O3 — CID 110297488

IUPAC3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C18H26N2O3/c1-20(2)8-7-19-18(21)12-15(13-3-4-13)14-5-6-16-17(11-14)23-10-9-22-16/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyWUJJCXNXYIDQHI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.02
Rot. Bonds7

About 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 110297488) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID110297488
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C18H26N2O3/c1-20(2)8-7-19-18(21)12-15(13-3-4-13)14-5-6-16-17(11-14)23-10-9-22-16/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyWUJJCXNXYIDQHI-UHFFFAOYSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 110374416
N-[(4-chlorophenyl)methyl]-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297500
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305047
3-cyclopropyl-N-[3-(dimethylamino)propyl]-3-(3,4-dimethylphenyl)propanamide
CID 110408201
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297543
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
CID 110371304
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110767459
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110606301
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 110619191
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide
CID 110371316
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide (CID 110297488) is 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CC(c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is WUJJCXNXYIDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(2)8-7-19-18(21)12-15(13-3-4-13)14-5-6-16-17(11-14)23-10-9-22-16/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide?
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 110297488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).