1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide

C17H24N2O3 — CID 113198628

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N2O3/c1-19(2)9-3-8-18-16(20)17(6-7-17)13-4-5-14-15(12-13)22-11-10-21-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyYZFIORYKAOYMHL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.56
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide (PubChem CID 113198628) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
PubChem CID113198628
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N2O3/c1-19(2)9-3-8-18-16(20)17(6-7-17)13-4-5-14-15(12-13)22-11-10-21-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyYZFIORYKAOYMHL-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973872
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 113198645
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017002
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 167794730
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 113198625
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopentane-1-carboxamide
CID 55679606

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide (CID 113198628) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide is CN(C)CCCNC(=O)C1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The InChIKey is YZFIORYKAOYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(2)9-3-8-18-16(20)17(6-7-17)13-4-5-14-15(12-13)22-11-10-21-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.56, 6 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-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113198628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).