N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H27NO5 — CID 46807965

IUPACN-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1OCCC
InChIInChI=1S/C22H27NO5/c1-4-12-25-17-11-10-16(14-20(17)26-13-5-2)23-22(24)21-15(3)27-18-8-6-7-9-19(18)28-21/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H,23,24)
InChIKeySNEJAYCHLSBJRO-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.43
Rot. Bonds8

About N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 46807965) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID46807965
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1OCCC
InChIInChI=1S/C22H27NO5/c1-4-12-25-17-11-10-16(14-20(17)26-13-5-2)23-22(24)21-15(3)27-18-8-6-7-9-19(18)28-21/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H,23,24)
InChIKeySNEJAYCHLSBJRO-UHFFFAOYSA-N
XLogP4.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 46670865
N-(4-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18142469
(2R,3R)-2-methyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41117211
(2S,3S)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7246479
ethyl 4-[[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 1147518
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2902385
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
(2S,3R)-N-(3-chlorophenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7393448
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18274238
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9376437
(2S,3R)-N-(3-ethynylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97310718

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 46807965) is N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCCOc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is SNEJAYCHLSBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-4-12-25-17-11-10-16(14-20(17)26-13-5-2)23-22(24)21-15(3)27-18-8-6-7-9-19(18)28-21/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 46807965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).