2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C18H27NO3 — CID 111331803

IUPAC2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-14(2)22-16-8-6-15(7-9-16)13-19-17(20)12-18(21)10-4-3-5-11-18/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,19,20)
InChIKeyJBMRKCCVGBHJAN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.18
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 111331803) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID111331803
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-14(2)22-16-8-6-15(7-9-16)13-19-17(20)12-18(21)10-4-3-5-11-18/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,19,20)
InChIKeyJBMRKCCVGBHJAN-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 111430375
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide
CID 110010126
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 111331803) is 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)CC2(O)CCCCC2)cc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is JBMRKCCVGBHJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)22-16-8-6-15(7-9-16)13-19-17(20)12-18(21)10-4-3-5-11-18/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 111331803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).