N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide

C19H20N2O4 — CID 39753224

IUPACN-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c22-18(7-4-10-20-19(23)15-5-2-1-3-6-15)21-12-14-8-9-16-17(11-14)25-13-24-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,20,23)(H,21,22)
InChIKeyGZCULMBDKVSNPC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.24
Rot. Bonds7

About N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide

N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide (PubChem CID 39753224) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
PubChem CID39753224
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c22-18(7-4-10-20-19(23)15-5-2-1-3-6-15)21-12-14-8-9-16-17(11-14)25-13-24-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,20,23)(H,21,22)
InChIKeyGZCULMBDKVSNPC-UHFFFAOYSA-N
XLogP2.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
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-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109047459
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 2535645
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047465
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
N-(1,3-benzodioxol-5-ylmethyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9314637
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] benzoate
CID 5115531
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
3-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)propanamide
CID 109022749

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide (CID 39753224) is N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide?
The InChIKey is GZCULMBDKVSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(7-4-10-20-19(23)15-5-2-1-3-6-15)21-12-14-8-9-16-17(11-14)25-13-24-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,20,23)(H,21,22).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide?
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 39753224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).