N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide

C17H20N2O2 — CID 110006672

IUPACN-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NCc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O2/c1-13(21)19(2)17-6-4-3-5-16(17)18-11-14-7-9-15(12-20)10-8-14/h3-10,18,20H,11-12H2,1-2H3
InChIKeyXGVPXKJSCPLICQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds5

About N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide

N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide (PubChem CID 110006672) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
PubChem CID110006672
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NCc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O2/c1-13(21)19(2)17-6-4-3-5-16(17)18-11-14-7-9-15(12-20)10-8-14/h3-10,18,20H,11-12H2,1-2H3
InChIKeyXGVPXKJSCPLICQ-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide
CID 43726479
N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 71978040
N-[4-(benzylamino)-9,10-dioxoanthracen-1-yl]-N-methylacetamide
CID 102057902
N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 71973343
N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide
CID 100625375
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
methyl 3-[[2-[acetyl(methyl)amino]anilino]methyl]-4-chlorobenzoate
CID 84599306
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
CID 113093771
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 110006505
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
N-[2-[acetyl(methyl)amino]phenyl]-2-(3-methylphenyl)acetamide
CID 113093793

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide (CID 110006672) is N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1NCc1ccc(CO)cc1.
What is the InChIKey of N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide?
The InChIKey is XGVPXKJSCPLICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(21)19(2)17-6-4-3-5-16(17)18-11-14-7-9-15(12-20)10-8-14/h3-10,18,20H,11-12H2,1-2H3.
What are the key properties of N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide?
N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 110006672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).