N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H21NO4 — CID 132651169

IUPACN-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C19H21NO4/c1-22-15-8-4-6-14(12-15)7-5-11-20-19(21)18-13-23-16-9-2-3-10-17(16)24-18/h2-4,6,8-10,12,18H,5,7,11,13H2,1H3,(H,20,21)
InChIKeyDETFIVWFEVSRPG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds6

About N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 132651169) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID132651169
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C19H21NO4/c1-22-15-8-4-6-14(12-15)7-5-11-20-19(21)18-13-23-16-9-2-3-10-17(16)24-18/h2-4,6,8-10,12,18H,5,7,11,13H2,1H3,(H,20,21)
InChIKeyDETFIVWFEVSRPG-UHFFFAOYSA-N
XLogP2.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
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

N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 110700805
(3R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8960536
[2-[2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792495
N-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47087961
(3S)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8857035
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132654967
N-(3-aminopropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119407559
N-(6-hydroxyhexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108808787
6-chloro-N-[3-(3-methoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43885451
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55904380
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 95172560

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 132651169) is N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1cccc(CCCNC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is DETFIVWFEVSRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-15-8-4-6-14(12-15)7-5-11-20-19(21)18-13-23-16-9-2-3-10-17(16)24-18/h2-4,6,8-10,12,18H,5,7,11,13H2,1H3,(H,20,21).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 132651169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).