4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide

C24H28ClNO3 — CID 100685863

IUPAC4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1OC1CCCC1
InChIInChI=1S/C24H28ClNO3/c1-17-16-20(10-11-22(17)29-21-4-2-3-5-21)26-23(27)24(12-14-28-15-13-24)18-6-8-19(25)9-7-18/h6-11,16,21H,2-5,12-15H2,1H3,(H,26,27)
InChIKeyNVEANBICEXQGGX-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.66
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide (PubChem CID 100685863) has the molecular formula C24H28ClNO3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
PubChem CID100685863
Molecular FormulaC24H28ClNO3
Molecular Weight413.95 g/mol
Exact Mass413.18
IUPAC Name4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1OC1CCCC1
InChIInChI=1S/C24H28ClNO3/c1-17-16-20(10-11-22(17)29-21-4-2-3-5-21)26-23(27)24(12-14-28-15-13-24)18-6-8-19(25)9-7-18/h6-11,16,21H,2-5,12-15H2,1H3,(H,26,27)
InChIKeyNVEANBICEXQGGX-UHFFFAOYSA-N
XLogP5.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
CID 100685329
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600
1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
CID 100666997
4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
CID 100685928
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
4-(2,4-dichlorophenyl)-N-(4-methoxy-3-methylphenyl)oxane-4-carboxamide
CID 95163453
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705112
4-(4-chlorophenyl)-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 100784348
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 60582492

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide (CID 100685863) is 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide is Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1OC1CCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide?
The InChIKey is NVEANBICEXQGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO3/c1-17-16-20(10-11-22(17)29-21-4-2-3-5-21)26-23(27)24(12-14-28-15-13-24)18-6-8-19(25)9-7-18/h6-11,16,21H,2-5,12-15H2,1H3,(H,26,27).
What are the key properties of 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100685863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).