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

C17H20N2O — CID 60927303

IUPAC2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-12-3-7-15(8-4-12)13(2)19-17(20)11-14-5-9-16(18)10-6-14/h3-10,13H,11,18H2,1-2H3,(H,19,20)
InChIKeyCTKWOOMHXOJHNX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.00
Rot. Bonds4

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

2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 60927303) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID60927303
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-12-3-7-15(8-4-12)13(2)19-17(20)11-14-5-9-16(18)10-6-14/h3-10,13H,11,18H2,1-2H3,(H,19,20)
InChIKeyCTKWOOMHXOJHNX-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
CID 119774122
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
1-(4-aminophenyl)ethylurea
CID 43298080
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 60927303) is 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is CTKWOOMHXOJHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-7-15(8-4-12)13(2)19-17(20)11-14-5-9-16(18)10-6-14/h3-10,13H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(4-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-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 60927303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).