N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide

C17H25NO2 — CID 106364533

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(2,14-9-4-3-5-10-14)16(20)18-15-11-7-6-8-13(15)12-19/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3,(H,18,20)
InChIKeyKOHISNMXXZHPFQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide

N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide (PubChem CID 106364533) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
PubChem CID106364533
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(2,14-9-4-3-5-10-14)16(20)18-15-11-7-6-8-13(15)12-19/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3,(H,18,20)
InChIKeyKOHISNMXXZHPFQ-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
CID 80555199
2-amino-N-[2-(aminomethyl)cyclopentyl]-2-phenylpropanamide
CID 122080715
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 103951115
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
CID 106361158
2-amino-2-cyclopropyl-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103821178
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 106361497
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide (CID 106364533) is N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NC1CCCCC1CO)c1ccccc1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide?
The InChIKey is KOHISNMXXZHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,14-9-4-3-5-10-14)16(20)18-15-11-7-6-8-13(15)12-19/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide has a molecular weight of 275.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106364533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).