N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide

C18H21NO3 — CID 96568300

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14-7-5-6-10-17(14)22-13-18(21)19-12-11-16(20)15-8-3-2-4-9-15/h2-10,16,20H,11-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyYYJROSRKUSVRRV-MRXNPFEDSA-N
MW299.37 g/mol
LogP2.61
Rot. Bonds7

About N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide (PubChem CID 96568300) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
PubChem CID96568300
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14-7-5-6-10-17(14)22-13-18(21)19-12-11-16(20)15-8-3-2-4-9-15/h2-10,16,20H,11-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyYYJROSRKUSVRRV-MRXNPFEDSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[2-(diethylamino)-2-phenylethyl]-2-(2-methylphenoxy)acetamide
CID 18167114
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
CID 108538583
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide (CID 96568300) is N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is YYJROSRKUSVRRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-7-5-6-10-17(14)22-13-18(21)19-12-11-16(20)15-8-3-2-4-9-15/h2-10,16,20H,11-13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 96568300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).