N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C19H21NO3 — CID 134028436

IUPACN-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21NO3/c1-2-10-20(14-15-6-4-3-5-7-15)19(21)16-8-9-17-18(13-16)23-12-11-22-17/h3-9,13H,2,10-12,14H2,1H3
InChIKeyNJZMOKKDYPFRKY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.51
Rot. Bonds5

About N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 134028436) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID134028436
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21NO3/c1-2-10-20(14-15-6-4-3-5-7-15)19(21)16-8-9-17-18(13-16)23-12-11-22-17/h3-9,13H,2,10-12,14H2,1H3
InChIKeyNJZMOKKDYPFRKY-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42773032
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 55334437
N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782261
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]acetic acid
CID 63650376
2-[benzyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 661562

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 134028436) is N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is NJZMOKKDYPFRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-10-20(14-15-6-4-3-5-7-15)19(21)16-8-9-17-18(13-16)23-12-11-22-17/h3-9,13H,2,10-12,14H2,1H3.
What are the key properties of N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 134028436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).