N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide

C23H21NO5 — CID 55364059

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3cc4c(cc3C(C)=O)OCO4)ccc2c1
InChIInChI=1S/C23H21NO5/c1-13(15-4-5-17-9-18(27-3)7-6-16(17)8-15)23(26)24-20-11-22-21(28-12-29-22)10-19(20)14(2)25/h4-11,13H,12H2,1-3H3,(H,24,26)
InChIKeyLXIOGZHFOBQEFR-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.52
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 55364059) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID55364059
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3cc4c(cc3C(C)=O)OCO4)ccc2c1
InChIInChI=1S/C23H21NO5/c1-13(15-4-5-17-9-18(27-3)7-6-16(17)8-15)23(26)24-20-11-22-21(28-12-29-22)10-19(20)14(2)25/h4-11,13H,12H2,1-3H3,(H,24,26)
InChIKeyLXIOGZHFOBQEFR-UHFFFAOYSA-N
XLogP4.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-acetamido-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 29418139
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methylphenoxy)propanamide
CID 837344
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054302
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide
CID 43024719
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551090
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9118488
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951919
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 55364059) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(C)C(=O)Nc3cc4c(cc3C(C)=O)OCO4)ccc2c1.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is LXIOGZHFOBQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-13(15-4-5-17-9-18(27-3)7-6-16(17)8-15)23(26)24-20-11-22-21(28-12-29-22)10-19(20)14(2)25/h4-11,13H,12H2,1-3H3,(H,24,26).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 391.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 55364059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).