N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide

C18H20N2O3 — CID 111120128

IUPACN-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(O)CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-7-5-6-10-15(13)16(21)11-19-17(22)12-20-18(23)14-8-3-2-4-9-14/h2-10,16,21H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyXQPQNWNRXXOKAC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide

N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 111120128) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID111120128
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(O)CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-7-5-6-10-15(13)16(21)11-19-17(22)12-20-18(23)14-8-3-2-4-9-14/h2-10,16,21H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyXQPQNWNRXXOKAC-UHFFFAOYSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 75381614
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 96530833
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
CID 111120094
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide (CID 111120128) is N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide is Cc1ccccc1C(O)CNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is XQPQNWNRXXOKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-5-6-10-15(13)16(21)11-19-17(22)12-20-18(23)14-8-3-2-4-9-14/h2-10,16,21H,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 111120128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).