N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide

C19H23NO5 — CID 113100586

IUPACN-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCCOc1cccc(OCCNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C19H23NO5/c1-4-24-15-6-5-7-16(12-15)25-9-8-20-19(21)14-10-17(22-2)13-18(11-14)23-3/h5-7,10-13H,4,8-9H2,1-3H3,(H,20,21)
InChIKeyPCJJJFWMUDJPFU-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.91
Rot. Bonds9

About N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide

N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113100586) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
PubChem CID113100586
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCCOc1cccc(OCCNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C19H23NO5/c1-4-24-15-6-5-7-16(12-15)25-9-8-20-19(21)14-10-17(22-2)13-18(11-14)23-3/h5-7,10-13H,4,8-9H2,1-3H3,(H,20,21)
InChIKeyPCJJJFWMUDJPFU-UHFFFAOYSA-N
XLogP2.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.91
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

N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide (CID 113100586) is N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide is CCOc1cccc(OCCNC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is PCJJJFWMUDJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-4-24-15-6-5-7-16(12-15)25-9-8-20-19(21)14-10-17(22-2)13-18(11-14)23-3/h5-7,10-13H,4,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113100586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).