1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide

C22H21NO4 — CID 1263849

IUPAC1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccc3ccccc3c1OC)OCO2
InChIInChI=1S/C22H21NO4/c1-3-6-15-11-19-20(27-13-26-19)12-18(15)23-22(24)17-10-9-14-7-4-5-8-16(14)21(17)25-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,23,24)
InChIKeyZJSNBFMUQOQGKN-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.78
Rot. Bonds5

About 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide

1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide (PubChem CID 1263849) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide
PubChem CID1263849
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccc3ccccc3c1OC)OCO2
InChIInChI=1S/C22H21NO4/c1-3-6-15-11-19-20(27-13-26-19)12-18(15)23-22(24)17-10-9-14-7-4-5-8-16(14)21(17)25-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,23,24)
InChIKeyZJSNBFMUQOQGKN-UHFFFAOYSA-N
XLogP4.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aristolactam
CID 96710
Aristolactam Ii
CID 148745
Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-hydroxy-
CID 158883
1-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 684458
1,2,3-Trimethoxydibenz(cd,f)indol-4(5H)-one
CID 10881419
2,3-dimethoxy-N-(naphthalen-1-yl)benzamide
CID 912419
Oxychelerythrine
CID 147279
Cepharanone B
CID 162739
Aristolactam Biii
CID 14526428
2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxy-2-methylphenyl)-
CID 77272
3-methoxy-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 750181
3-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 790574

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide (CID 1263849) is 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide is CCCc1cc2c(cc1NC(=O)c1ccc3ccccc3c1OC)OCO2.
What is the InChIKey of 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide?
The InChIKey is ZJSNBFMUQOQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-3-6-15-11-19-20(27-13-26-19)12-18(15)23-22(24)17-10-9-14-7-4-5-8-16(14)21(17)25-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,23,24).
What are the key properties of 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide?
1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 1263849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).