N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide

C16H18N2O — CID 56722696

IUPACN-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccccc2CCN)cc1
InChIInChI=1S/C16H18N2O/c1-12(19)18-15-8-6-14(7-9-15)16-5-3-2-4-13(16)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyJHOAVHXYSJEUCM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.81
Rot. Bonds4

About N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide

N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide (PubChem CID 56722696) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide
PubChem CID56722696
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccccc2CCN)cc1
InChIInChI=1S/C16H18N2O/c1-12(19)18-15-8-6-14(7-9-15)16-5-3-2-4-13(16)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyJHOAVHXYSJEUCM-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide (CID 56722696) is N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccccc2CCN)cc1.
What is the InChIKey of N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide?
The InChIKey is JHOAVHXYSJEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(19)18-15-8-6-14(7-9-15)16-5-3-2-4-13(16)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide?
N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-aminoethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 56722696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).