N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide

C17H20N2O2 — CID 110879983

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
SMILESCN(C)c1ccc(CNC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-19(2)15-10-8-13(9-11-15)12-18-17(21)16(20)14-6-4-3-5-7-14/h3-11,16,20H,12H2,1-2H3,(H,18,21)
InChIKeyBBXQANPKIGTLQS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.10
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 110879983) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
PubChem CID110879983
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
SMILESCN(C)c1ccc(CNC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-19(2)15-10-8-13(9-11-15)12-18-17(21)16(20)14-6-4-3-5-7-14/h3-11,16,20H,12H2,1-2H3,(H,18,21)
InChIKeyBBXQANPKIGTLQS-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
CID 110900157
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 18164481
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
2-hydroxy-N',N'-dimethyl-2-phenylacetohydrazide
CID 11298492
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide (CID 110879983) is N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide is CN(C)c1ccc(CNC(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is BBXQANPKIGTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(2)15-10-8-13(9-11-15)12-18-17(21)16(20)14-6-4-3-5-7-14/h3-11,16,20H,12H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 110879983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).