N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide

C20H25NO2 — CID 55591908

IUPACN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1C)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H25NO2/c1-6-21(16(4)17-8-7-9-18(13-17)23-5)20(22)19-12-14(2)10-11-15(19)3/h7-13,16H,6H2,1-5H3
InChIKeyHAIKXXSSZGSUIF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.54
Rot. Bonds5

About N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide (PubChem CID 55591908) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
PubChem CID55591908
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1C)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H25NO2/c1-6-21(16(4)17-8-7-9-18(13-17)23-5)20(22)19-12-14(2)10-11-15(19)3/h7-13,16H,6H2,1-5H3
InChIKeyHAIKXXSSZGSUIF-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55702850
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55593136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide (CID 55591908) is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide is CCN(C(=O)c1cc(C)ccc1C)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
The InChIKey is HAIKXXSSZGSUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-6-21(16(4)17-8-7-9-18(13-17)23-5)20(22)19-12-14(2)10-11-15(19)3/h7-13,16H,6H2,1-5H3.
What are the key properties of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 55591908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).