N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide

C17H18N2O3 — CID 9495603

IUPACN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C17H18N2O3/c1-12-7-8-14(15(20)9-12)19-17(22)11-18-16(21)10-13-5-3-2-4-6-13/h2-9,20H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyZHQVKKDINYPGOH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 9495603) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID9495603
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C17H18N2O3/c1-12-7-8-14(15(20)9-12)19-17(22)11-18-16(21)10-13-5-3-2-4-6-13/h2-9,20H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyZHQVKKDINYPGOH-UHFFFAOYSA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112997768
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 9495521
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide (CID 9495603) is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide is Cc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(O)c1.
What is the InChIKey of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is ZHQVKKDINYPGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-7-8-14(15(20)9-12)19-17(22)11-18-16(21)10-13-5-3-2-4-6-13/h2-9,20H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 298.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9495603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).