N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide

C17H25NO3 — CID 62527498

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
SMILESCC1CCC(CO)(NC(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-13-8-10-17(12-19,11-9-13)18-16(20)14(2)21-15-6-4-3-5-7-15/h3-7,13-14,19H,8-12H2,1-2H3,(H,18,20)
InChIKeyXBHUBIFPHUHIOZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide (PubChem CID 62527498) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
PubChem CID62527498
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
SMILESCC1CCC(CO)(NC(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-13-8-10-17(12-19,11-9-13)18-16(20)14(2)21-15-6-4-3-5-7-15/h3-7,13-14,19H,8-12H2,1-2H3,(H,18,20)
InChIKeyXBHUBIFPHUHIOZ-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
CID 62526000
(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 99826146
2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62522000
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 114898352
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpropanamide
CID 62726873
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
CID 107301902

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide (CID 62527498) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide is CC1CCC(CO)(NC(=O)C(C)Oc2ccccc2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide?
The InChIKey is XBHUBIFPHUHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-8-10-17(12-19,11-9-13)18-16(20)14(2)21-15-6-4-3-5-7-15/h3-7,13-14,19H,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide is sourced from PubChem (CID 62527498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).