N-[2-(4-phenylanilino)ethyl]acetamide

C16H18N2O — CID 103604100

IUPACN-[2-(4-phenylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13(19)17-11-12-18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyCFJNBLQTXNKAQR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(4-phenylanilino)ethyl]acetamide

N-[2-(4-phenylanilino)ethyl]acetamide (PubChem CID 103604100) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(4-phenylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-phenylanilino)ethyl]acetamide
PubChem CID103604100
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[2-(4-phenylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13(19)17-11-12-18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyCFJNBLQTXNKAQR-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-acetamidoethylamino)benzoic acid
CID 62231212
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
N-(4-phenylphenyl)acetamide
CID 19998
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
N-(2-anilinoethyl)carbamoyl chloride
CID 89292343
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(4-phenylanilino)ethyl]acetamide (CID 103604100) is N-[2-(4-phenylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-phenylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(4-phenylanilino)ethyl]acetamide is CC(=O)NCCNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-phenylanilino)ethyl]acetamide?
The InChIKey is CFJNBLQTXNKAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(19)17-11-12-18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-phenylanilino)ethyl]acetamide?
N-[2-(4-phenylanilino)ethyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylanilino)ethyl]acetamide is sourced from PubChem (CID 103604100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).