N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide

C17H20N2O2 — CID 110006528

IUPACN-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(CO)cc2)ccc1C
InChIInChI=1S/C17H20N2O2/c1-12-3-8-16(9-17(12)19-13(2)21)18-10-14-4-6-15(11-20)7-5-14/h3-9,18,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyDIHNOQNYMILWDX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds5

About N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide (PubChem CID 110006528) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
PubChem CID110006528
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(CO)cc2)ccc1C
InChIInChI=1S/C17H20N2O2/c1-12-3-8-16(9-17(12)19-13(2)21)18-10-14-4-6-15(11-20)7-5-14/h3-9,18,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyDIHNOQNYMILWDX-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 110006658
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
CID 78895302
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
CID 60536220

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide (CID 110006528) is N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCc2ccc(CO)cc2)ccc1C.
What is the InChIKey of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide?
The InChIKey is DIHNOQNYMILWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-3-8-16(9-17(12)19-13(2)21)18-10-14-4-6-15(11-20)7-5-14/h3-9,18,20H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide?
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 110006528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).