N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C19H27NO3 — CID 2558696

IUPACN-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCC1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-14-4-8-16(9-5-14)20-19(21)15-6-10-17(11-7-15)23-13-18-3-2-12-22-18/h6-7,10-11,14,16,18H,2-5,8-9,12-13H2,1H3,(H,20,21)/t14?,16?,18-/m1/s1
InChIKeyYZOJSJPBMAAXIP-JFUPDXTOSA-N
MW317.43 g/mol
LogP3.55
Rot. Bonds5

About N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 2558696) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID2558696
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCC1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-14-4-8-16(9-5-14)20-19(21)15-6-10-17(11-7-15)23-13-18-3-2-12-22-18/h6-7,10-11,14,16,18H,2-5,8-9,12-13H2,1H3,(H,20,21)/t14?,16?,18-/m1/s1
InChIKeyYZOJSJPBMAAXIP-JFUPDXTOSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 2558696) is N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is CC1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is YZOJSJPBMAAXIP-JFUPDXTOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-4-8-16(9-5-14)20-19(21)15-6-10-17(11-7-15)23-13-18-3-2-12-22-18/h6-7,10-11,14,16,18H,2-5,8-9,12-13H2,1H3,(H,20,21)/t14?,16?,18-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 317.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 2558696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).