3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide

C22H23NO5 — CID 19174588

IUPAC3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H23NO5/c1-25-19-13-16(14-20(26-2)21(19)27-3)22(24)23-11-12-28-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13-14H,11-12H2,1-3H3,(H,23,24)
InChIKeyXKZVYCJNGYZNBI-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.67
Rot. Bonds8

About 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide

3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide (PubChem CID 19174588) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
PubChem CID19174588
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H23NO5/c1-25-19-13-16(14-20(26-2)21(19)27-3)22(24)23-11-12-28-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13-14H,11-12H2,1-3H3,(H,23,24)
InChIKeyXKZVYCJNGYZNBI-UHFFFAOYSA-N
XLogP3.67
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2225987
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 94559214
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide (CID 19174588) is 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide is COc1cc(C(=O)NCCOc2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide?
The InChIKey is XKZVYCJNGYZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-25-19-13-16(14-20(26-2)21(19)27-3)22(24)23-11-12-28-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13-14H,11-12H2,1-3H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide?
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide has a molecular weight of 381.43 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide is sourced from PubChem (CID 19174588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).