4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide

C18H22N2O — CID 43706737

IUPAC4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
SMILESCc1ccc(C)c(C(C)Nc2ccc(C(N)=O)cc2C)c1
InChIInChI=1S/C18H22N2O/c1-11-5-6-12(2)16(9-11)14(4)20-17-8-7-15(18(19)21)10-13(17)3/h5-10,14,20H,1-4H3,(H2,19,21)
InChIKeySHIWWQIIVOMEJI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.88
Rot. Bonds4

About 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide

4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide (PubChem CID 43706737) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
PubChem CID43706737
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
SMILESCc1ccc(C)c(C(C)Nc2ccc(C(N)=O)cc2C)c1
InChIInChI=1S/C18H22N2O/c1-11-5-6-12(2)16(9-11)14(4)20-17-8-7-15(18(19)21)10-13(17)3/h5-10,14,20H,1-4H3,(H2,19,21)
InChIKeySHIWWQIIVOMEJI-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423
3-methyl-4-(4-methylpentan-2-ylamino)benzamide
CID 43706917
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
N-[1-(2,5-dimethylphenyl)ethyl]-5-methyl-2-nitroaniline
CID 115912334
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide?
The IUPAC name of 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide (CID 43706737) is 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide?
The canonical SMILES for 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide is Cc1ccc(C)c(C(C)Nc2ccc(C(N)=O)cc2C)c1.
What is the InChIKey of 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide?
The InChIKey is SHIWWQIIVOMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-5-6-12(2)16(9-11)14(4)20-17-8-7-15(18(19)21)10-13(17)3/h5-10,14,20H,1-4H3,(H2,19,21).
What are the key properties of 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide?
4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide is sourced from PubChem (CID 43706737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).