2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide

C17H20N2O — CID 61102579

IUPAC2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cc2ccccc2N)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-14(10-8-12)13(2)19-17(20)11-15-5-3-4-6-16(15)18/h3-10,13H,11,18H2,1-2H3,(H,19,20)
InChIKeyKYPQMOLVHXWKIJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide

2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 61102579) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID61102579
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cc2ccccc2N)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-14(10-8-12)13(2)19-17(20)11-15-5-3-4-6-16(15)18/h3-10,13H,11,18H2,1-2H3,(H,19,20)
InChIKeyKYPQMOLVHXWKIJ-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide
CID 61118326
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
N-[1-(4-aminophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 43297450

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 61102579) is 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)Cc2ccccc2N)cc1.
What is the InChIKey of 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is KYPQMOLVHXWKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-9-14(10-8-12)13(2)19-17(20)11-15-5-3-4-6-16(15)18/h3-10,13H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 61102579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).