N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide

C18H27NO2 — CID 110441771

IUPACN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-16-12-8-7-11-15(16)13-19-17(20)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,20)
InChIKeyHCRXJBUYGMKHHL-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.06
Rot. Bonds4

About N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide

N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide (PubChem CID 110441771) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
PubChem CID110441771
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-16-12-8-7-11-15(16)13-19-17(20)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,20)
InChIKeyHCRXJBUYGMKHHL-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
N-cyclohexyl-3-[[N'-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]amino]propanamide
CID 111690332
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
N-cyclohexyl-3-[[N'-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111690331
3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
CID 111508966
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide (CID 110441771) is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide is CC(C)(C)Oc1ccccc1CNC(=O)C1CCCCC1.
What is the InChIKey of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is HCRXJBUYGMKHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)21-16-12-8-7-11-15(16)13-19-17(20)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,20).
What are the key properties of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide?
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 289.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110441771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).