4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide

C20H23NO3 — CID 99579255

IUPAC4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15(21-19(22)20(23)11-13-24-14-12-20)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,23H,11-14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQYKIDBWXWMDYSD-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds4

About 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide

4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide (PubChem CID 99579255) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide
PubChem CID99579255
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1(O)CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15(21-19(22)20(23)11-13-24-14-12-20)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,23H,11-14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQYKIDBWXWMDYSD-OAHLLOKOSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
5-morpholin-4-ylsulfonyl-N-[1-(4-phenylphenyl)ethyl]furan-2-carboxamide
CID 46409252
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
4-[1-[[4-(2-phenylethylamino)oxane-4-carbonyl]amino]ethyl]benzoic acid
CID 156717340
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide (CID 99579255) is 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide is C[C@@H](NC(=O)C1(O)CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is QYKIDBWXWMDYSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(21-19(22)20(23)11-13-24-14-12-20)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,23H,11-14H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide?
4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 99579255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).