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

C18H22N2O — CID 162667367

IUPACN-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2ccc(CCN)cc2C)cc1
InChIInChI=1S/C18H22N2O/c1-13-11-16(9-10-19)3-6-17(13)12-15-4-7-18(8-5-15)20-14(2)21/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyXYLAOLAKASHDNQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds5

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

N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide (PubChem CID 162667367) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide
PubChem CID162667367
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2ccc(CCN)cc2C)cc1
InChIInChI=1S/C18H22N2O/c1-13-11-16(9-10-19)3-6-17(13)12-15-4-7-18(8-5-15)20-14(2)21/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyXYLAOLAKASHDNQ-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide (CID 162667367) is N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2ccc(CCN)cc2C)cc1.
What is the InChIKey of N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide?
The InChIKey is XYLAOLAKASHDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-11-16(9-10-19)3-6-17(13)12-15-4-7-18(8-5-15)20-14(2)21/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide?
N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 162667367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).