N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide

C20H23NO3 — CID 94637576

IUPACN-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C
InChIInChI=1S/C20H23NO3/c1-15-14-17(8-9-18(15)23-2)21-19(22)20(10-12-24-13-11-20)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,21,22)
InChIKeyOQOSNIRCAUDJBJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.69
Rot. Bonds4

About N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide

N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide (PubChem CID 94637576) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
PubChem CID94637576
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C
InChIInChI=1S/C20H23NO3/c1-15-14-17(8-9-18(15)23-2)21-19(22)20(10-12-24-13-11-20)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,21,22)
InChIKeyOQOSNIRCAUDJBJ-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
4-(2,4-dichlorophenyl)-N-(4-methoxy-3-methylphenyl)oxane-4-carboxamide
CID 95163453
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide (CID 94637576) is N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide?
The InChIKey is OQOSNIRCAUDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-14-17(8-9-18(15)23-2)21-19(22)20(10-12-24-13-11-20)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,21,22).
What are the key properties of N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide?
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 94637576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).