N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

C24H30N2O2 — CID 110082796

IUPACN-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1
InChIInChI=1S/C24H30N2O2/c27-23(26-22-4-2-1-3-5-22)24(12-16-28-17-13-24)18-19-6-8-20(9-7-19)21-10-14-25-15-11-21/h6-11,14-15,22H,1-5,12-13,16-18H2,(H,26,27)
InChIKeyYFNMSGUCHHNTCH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.54
Rot. Bonds5

About N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 110082796) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID110082796
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1
InChIInChI=1S/C24H30N2O2/c27-23(26-22-4-2-1-3-5-22)24(12-16-28-17-13-24)18-19-6-8-20(9-7-19)21-10-14-25-15-11-21/h6-11,14-15,22H,1-5,12-13,16-18H2,(H,26,27)
InChIKeyYFNMSGUCHHNTCH-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 110084497
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 125026020
N-[(4-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082812
methyl 1-[4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carbonyl]piperidine-4-carboxylate
CID 110082822
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082846
N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129458761
N-[(4-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458157
N-(2-hydroxypropyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110083079
4-benzyl-N-(1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 110090611

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (CID 110082796) is N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is O=C(NC1CCCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1.
What is the InChIKey of N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is YFNMSGUCHHNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(26-22-4-2-1-3-5-22)24(12-16-28-17-13-24)18-19-6-8-20(9-7-19)21-10-14-25-15-11-21/h6-11,14-15,22H,1-5,12-13,16-18H2,(H,26,27).
What are the key properties of N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 110082796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).