N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride

C19H23ClN2O3 — CID 120648747

IUPACN-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O3.ClH/c20-9-4-10-21(14-15-5-2-1-3-6-15)19(22)16-7-8-17-18(13-16)24-12-11-23-17;/h1-3,5-8,13H,4,9-12,14,20H2;1H
InChIKeyNAAVPGGNEBHNIP-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.87
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride (PubChem CID 120648747) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
PubChem CID120648747
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O3.ClH/c20-9-4-10-21(14-15-5-2-1-3-6-15)19(22)16-7-8-17-18(13-16)24-12-11-23-17;/h1-3,5-8,13H,4,9-12,14,20H2;1H
InChIKeyNAAVPGGNEBHNIP-UHFFFAOYSA-N
XLogP2.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63287503
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 55334437
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120648106
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride (CID 120648747) is N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
The InChIKey is NAAVPGGNEBHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c20-9-4-10-21(14-15-5-2-1-3-6-15)19(22)16-7-8-17-18(13-16)24-12-11-23-17;/h1-3,5-8,13H,4,9-12,14,20H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).