N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

C19H27NO4 — CID 95164050

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC[C@@H]3COCCO3)CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-22-16-7-5-15(6-8-16)19(9-3-2-4-10-19)18(21)20-13-17-14-23-11-12-24-17/h5-8,17H,2-4,9-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyBRSUOVBSPOIBIH-QGZVFWFLSA-N
MW333.43 g/mol
LogP2.43
Rot. Bonds5

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 95164050) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID95164050
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC[C@@H]3COCCO3)CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-22-16-7-5-15(6-8-16)19(9-3-2-4-10-19)18(21)20-13-17-14-23-11-12-24-17/h5-8,17H,2-4,9-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyBRSUOVBSPOIBIH-QGZVFWFLSA-N
XLogP2.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 94630208
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1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
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1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
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1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 20972770
(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
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3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
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N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
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1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880189
2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 102057404
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
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N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 95164050) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)NC[C@@H]3COCCO3)CCCCC2)cc1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is BRSUOVBSPOIBIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27NO4/c1-22-16-7-5-15(6-8-16)19(9-3-2-4-10-19)18(21)20-13-17-14-23-11-12-24-17/h5-8,17H,2-4,9-14H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95164050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).