N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide

C20H25NO4 — CID 37399073

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCOCc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-25-13-16-9-7-6-8-15(16)12-21-20(22)17-10-18(23-3)14(2)19(11-17)24-4/h6-11H,5,12-13H2,1-4H3,(H,21,22)
InChIKeySEQXXNXJMSULEU-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.48
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide

N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 37399073) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID37399073
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCOCc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-25-13-16-9-7-6-8-15(16)12-21-20(22)17-10-18(23-3)14(2)19(11-17)24-4/h6-11H,5,12-13H2,1-4H3,(H,21,22)
InChIKeySEQXXNXJMSULEU-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide (CID 37399073) is N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide is CCOCc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is SEQXXNXJMSULEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-25-13-16-9-7-6-8-15(16)12-21-20(22)17-10-18(23-3)14(2)19(11-17)24-4/h6-11H,5,12-13H2,1-4H3,(H,21,22).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 343.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 37399073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).