3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide

C20H25NO4 — CID 99099115

IUPAC3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(2)16-7-5-6-8-17(16)25-12-11-21-20(22)15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKeyKQLYOWVGRQSDPB-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.64
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide

3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide (PubChem CID 99099115) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
PubChem CID99099115
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(2)16-7-5-6-8-17(16)25-12-11-21-20(22)15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKeyKQLYOWVGRQSDPB-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
3-(methylsulfamoyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99116231
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide (CID 99099115) is 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide is COc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide?
The InChIKey is KQLYOWVGRQSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)16-7-5-6-8-17(16)25-12-11-21-20(22)15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide is sourced from PubChem (CID 99099115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).