N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide

C18H22N2O — CID 63230005

IUPACN-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1cc(C)ccc1C)c1cccc(N)c1
InChIInChI=1S/C18H22N2O/c1-4-20(17-7-5-6-16(19)12-17)18(21)11-15-10-13(2)8-9-14(15)3/h5-10,12H,4,11,19H2,1-3H3
InChIKeyYTLLZZQTRSZDPA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.48
Rot. Bonds4

About N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide

N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide (PubChem CID 63230005) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
PubChem CID63230005
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1cc(C)ccc1C)c1cccc(N)c1
InChIInChI=1S/C18H22N2O/c1-4-20(17-7-5-6-16(19)12-17)18(21)11-15-10-13(2)8-9-14(15)3/h5-10,12H,4,11,19H2,1-3H3
InChIKeyYTLLZZQTRSZDPA-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 63234126
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735699

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide (CID 63230005) is N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide is CCN(C(=O)Cc1cc(C)ccc1C)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide?
The InChIKey is YTLLZZQTRSZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-20(17-7-5-6-16(19)12-17)18(21)11-15-10-13(2)8-9-14(15)3/h5-10,12H,4,11,19H2,1-3H3.
What are the key properties of N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide?
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide has a molecular weight of 282.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide is sourced from PubChem (CID 63230005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).