N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide

C15H21NO3 — CID 111119935

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)C1CCCOC1
InChIInChI=1S/C15H21NO3/c1-11-5-2-3-7-13(11)14(17)9-16-15(18)12-6-4-8-19-10-12/h2-3,5,7,12,14,17H,4,6,8-10H2,1H3,(H,16,18)
InChIKeyOXDJNNNCODFJPN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds4

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

N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide (PubChem CID 111119935) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
PubChem CID111119935
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)C1CCCOC1
InChIInChI=1S/C15H21NO3/c1-11-5-2-3-7-13(11)14(17)9-16-15(18)12-6-4-8-19-10-12/h2-3,5,7,12,14,17H,4,6,8-10H2,1H3,(H,16,18)
InChIKeyOXDJNNNCODFJPN-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111120168
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
CID 97246443
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]oxane-3-carboxamide
CID 122136771

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide (CID 111119935) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide is Cc1ccccc1C(O)CNC(=O)C1CCCOC1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide?
The InChIKey is OXDJNNNCODFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-2-3-7-13(11)14(17)9-16-15(18)12-6-4-8-19-10-12/h2-3,5,7,12,14,17H,4,6,8-10H2,1H3,(H,16,18).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 4 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]oxane-3-carboxamide is sourced from PubChem (CID 111119935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).