N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide

C21H24N2O4 — CID 39758747

IUPACN-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-23(15-16-9-10-18-19(14-16)27-13-12-26-18)20(24)8-5-11-22-21(25)17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,22,25)
InChIKeyNTFNNOBNJLVJCJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.63
Rot. Bonds7

About N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide

N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide (PubChem CID 39758747) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
PubChem CID39758747
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-23(15-16-9-10-18-19(14-16)27-13-12-26-18)20(24)8-5-11-22-21(25)17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,22,25)
InChIKeyNTFNNOBNJLVJCJ-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.63
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-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 78794285
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-oxopropyl]-4-chlorobenzamide
CID 17397418
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
N-[4-[methyl-[(3-nitrophenyl)methyl]amino]-4-oxobutyl]benzamide
CID 46404872
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide (CID 39758747) is N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide?
The InChIKey is NTFNNOBNJLVJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23(15-16-9-10-18-19(14-16)27-13-12-26-18)20(24)8-5-11-22-21(25)17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,22,25).
What are the key properties of N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide?
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 39758747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).