N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide

C19H23NO3 — CID 111120094

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
SMILESCc1ccccc1C(O)CNC(=O)CCOCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-15-7-5-6-10-17(15)18(21)13-20-19(22)11-12-23-14-16-8-3-2-4-9-16/h2-10,18,21H,11-14H2,1H3,(H,20,22)
InChIKeyKMDUDGXTDYCIPI-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds8

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide (PubChem CID 111120094) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
PubChem CID111120094
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
SMILESCc1ccccc1C(O)CNC(=O)CCOCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-15-7-5-6-10-17(15)18(21)13-20-19(22)11-12-23-14-16-8-3-2-4-9-16/h2-10,18,21H,11-14H2,1H3,(H,20,22)
InChIKeyKMDUDGXTDYCIPI-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide (CID 111120094) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide is Cc1ccccc1C(O)CNC(=O)CCOCc1ccccc1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide?
The InChIKey is KMDUDGXTDYCIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-7-5-6-10-17(15)18(21)13-20-19(22)11-12-23-14-16-8-3-2-4-9-16/h2-10,18,21H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 111120094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).