N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide

C17H25NO3 — CID 113197935

IUPACN-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H25NO3/c1-5-6-9-18(4)16(19)17(2,3)13-7-8-14-15(12-13)21-11-10-20-14/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyFSJPCRRXMXMFBP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.99
Rot. Bonds5

About N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide

N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide (PubChem CID 113197935) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide
PubChem CID113197935
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H25NO3/c1-5-6-9-18(4)16(19)17(2,3)13-7-8-14-15(12-13)21-11-10-20-14/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyFSJPCRRXMXMFBP-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119358485
1-butyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1,2-dimethylguanidine;hydroiodide
CID 111159622
N-(1,3-benzodioxol-5-ylmethyl)-N'-butyl-N',2,2-trimethylpropanediamide
CID 108963147
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide
CID 113197932
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
3-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-1-butyl-1,2-dimethylguanidine
CID 111159605
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide
CID 51099930
but-2-enyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoate
CID 76878419
2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
CID 113197678
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide (CID 113197935) is N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide is CCCCN(C)C(=O)C(C)(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide?
The InChIKey is FSJPCRRXMXMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-6-9-18(4)16(19)17(2,3)13-7-8-14-15(12-13)21-11-10-20-14/h7-8,12H,5-6,9-11H2,1-4H3.
What are the key properties of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide?
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 113197935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).