3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide

C22H23NO4 — CID 2923062

IUPAC3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide
SMILESCOc1cc(C(=O)NC(C)c2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H23NO4/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)23-22(24)16-12-19(25-2)21(27-4)20(13-16)26-3/h5-14H,1-4H3,(H,23,24)
InChIKeyOXZAWWAOEJQRKJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.36
Rot. Bonds6

About 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide

3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide (PubChem CID 2923062) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide
PubChem CID2923062
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide
SMILESCOc1cc(C(=O)NC(C)c2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H23NO4/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)23-22(24)16-12-19(25-2)21(27-4)20(13-16)26-3/h5-14H,1-4H3,(H,23,24)
InChIKeyOXZAWWAOEJQRKJ-UHFFFAOYSA-N
XLogP4.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
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3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
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N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine
CID 84075
N-cyclohexyl-3,4-dimethoxybenzamide
CID 736959
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
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CID 873122

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide (CID 2923062) is 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide is COc1cc(C(=O)NC(C)c2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide?
The InChIKey is OXZAWWAOEJQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)23-22(24)16-12-19(25-2)21(27-4)20(13-16)26-3/h5-14H,1-4H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide?
3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 2923062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).