3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide

C22H21NO5 — CID 10970901

IUPAC3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c(OCC4CO4)cccc23)cc1OC
InChIInChI=1S/C22H21NO5/c1-25-20-10-9-14(11-21(20)26-2)22(24)23-18-7-3-6-17-16(18)5-4-8-19(17)28-13-15-12-27-15/h3-11,15H,12-13H2,1-2H3,(H,23,24)
InChIKeyCAZUPJAJWSPOSR-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.89
Rot. Bonds7

About 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide

3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide (PubChem CID 10970901) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
PubChem CID10970901
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c(OCC4CO4)cccc23)cc1OC
InChIInChI=1S/C22H21NO5/c1-25-20-10-9-14(11-21(20)26-2)22(24)23-18-7-3-6-17-16(18)5-4-8-19(17)28-13-15-12-27-15/h3-11,15H,12-13H2,1-2H3,(H,23,24)
InChIKeyCAZUPJAJWSPOSR-UHFFFAOYSA-N
XLogP3.89
TPSA69.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
CID 86760859
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457
3-chloro-N-[5-[[6-methoxy-7-[[(2S)-oxiran-2-yl]methoxy]quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
CID 87871106
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide (CID 10970901) is 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide is COc1ccc(C(=O)Nc2cccc3c(OCC4CO4)cccc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide?
The InChIKey is CAZUPJAJWSPOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-25-20-10-9-14(11-21(20)26-2)22(24)23-18-7-3-6-17-16(18)5-4-8-19(17)28-13-15-12-27-15/h3-11,15H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide?
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide has a molecular weight of 379.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 10970901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).