N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide

C17H20N2O — CID 63234126

IUPACN-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1cccc(C)c1)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O/c1-3-19(16-9-7-15(18)8-10-16)17(20)12-14-6-4-5-13(2)11-14/h4-11H,3,12,18H2,1-2H3
InChIKeyNZPBCAOBRQRRQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.17
Rot. Bonds4

About N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide

N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide (PubChem CID 63234126) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
PubChem CID63234126
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1cccc(C)c1)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O/c1-3-19(16-9-7-15(18)8-10-16)17(20)12-14-6-4-5-13(2)11-14/h4-11H,3,12,18H2,1-2H3
InChIKeyNZPBCAOBRQRRQD-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 63230005
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 55175946
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide (CID 63234126) is N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide is CCN(C(=O)Cc1cccc(C)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide?
The InChIKey is NZPBCAOBRQRRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-19(16-9-7-15(18)8-10-16)17(20)12-14-6-4-5-13(2)11-14/h4-11H,3,12,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide?
N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 63234126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).