1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

C17H21NO4 — CID 113198625

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCO1)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H21NO4/c19-16(18-11-13-2-1-7-20-13)17(5-6-17)12-3-4-14-15(10-12)22-9-8-21-14/h3-4,10,13H,1-2,5-9,11H2,(H,18,19)
InChIKeyDFHBIZNJLPXXCM-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.78
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 113198625) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID113198625
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCO1)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H21NO4/c19-16(18-11-13-2-1-7-20-13)17(5-6-17)12-3-4-14-15(10-12)22-9-8-21-14/h3-4,10,13H,1-2,5-9,11H2,(H,18,19)
InChIKeyDFHBIZNJLPXXCM-UHFFFAOYSA-N
XLogP1.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
1-N'-(1,3-benzodioxol-5-yl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973367
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94177635
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015955
4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821548
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 2955102
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94027492
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (CID 113198625) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCC1CCCO1)C1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is DFHBIZNJLPXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16(18-11-13-2-1-7-20-13)17(5-6-17)12-3-4-14-15(10-12)22-9-8-21-14/h3-4,10,13H,1-2,5-9,11H2,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).