N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide

C17H25NO3 — CID 102634873

IUPACN-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C17H25NO3/c1-13(21-12-14-8-4-3-5-9-14)17(20)18(2)15-10-6-7-11-16(15)19/h3-5,8-9,13,15-16,19H,6-7,10-12H2,1-2H3
InChIKeyDIFYRHVWLIIWCZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.35
Rot. Bonds5

About N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide

N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide (PubChem CID 102634873) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
PubChem CID102634873
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C17H25NO3/c1-13(21-12-14-8-4-3-5-9-14)17(20)18(2)15-10-6-7-11-16(15)19/h3-5,8-9,13,15-16,19H,6-7,10-12H2,1-2H3
InChIKeyDIFYRHVWLIIWCZ-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylmethoxypropanamide
CID 112548097
(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536454
2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 102632131
benzyl N-[2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]cyclohexyl]carbamate
CID 66564953
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184782
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 56923272
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
N-(2-hydroxycyclohexyl)-N,2-dimethylpentanamide
CID 102634854

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide (CID 102634873) is N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)N(C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide?
The InChIKey is DIFYRHVWLIIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(21-12-14-8-4-3-5-9-14)17(20)18(2)15-10-6-7-11-16(15)19/h3-5,8-9,13,15-16,19H,6-7,10-12H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide?
N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide is sourced from PubChem (CID 102634873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).