2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide

C18H20N2O3 — CID 14212844

IUPAC2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1cc(C)ccc1O
InChIInChI=1S/C18H20N2O3/c1-12-8-9-16(22)15(10-12)17(20-13(2)21)18(23)19-11-14-6-4-3-5-7-14/h3-10,17,22H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyRUDXMQKDHMEKNC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.19
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide

2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 14212844) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide
PubChem CID14212844
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1cc(C)ccc1O
InChIInChI=1S/C18H20N2O3/c1-12-8-9-16(22)15(10-12)17(20-13(2)21)18(23)19-11-14-6-4-3-5-7-14/h3-10,17,22H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyRUDXMQKDHMEKNC-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
CID 54513185
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
[1-(benzylamino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 42969454
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
CID 53364150
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
N-benzylacetamide;toluene
CID 175498463
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide (CID 14212844) is 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1cc(C)ccc1O.
What is the InChIKey of 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is RUDXMQKDHMEKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-8-9-16(22)15(10-12)17(20-13(2)21)18(23)19-11-14-6-4-3-5-7-14/h3-10,17,22H,11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide?
2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 14212844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).