2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide

C17H26N2O2 — CID 111459685

IUPAC2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESCN(CC(=O)NCC1CCCC(O)C1)Cc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19(12-14-6-3-2-4-7-14)13-17(21)18-11-15-8-5-9-16(20)10-15/h2-4,6-7,15-16,20H,5,8-13H2,1H3,(H,18,21)
InChIKeyOSANGOAFUPDBRS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.79
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide

2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111459685) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
PubChem CID111459685
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESCN(CC(=O)NCC1CCCC(O)C1)Cc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19(12-14-6-3-2-4-7-14)13-17(21)18-11-15-8-5-9-16(20)10-15/h2-4,6-7,15-16,20H,5,8-13H2,1H3,(H,18,21)
InChIKeyOSANGOAFUPDBRS-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide (CID 111459685) is 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide is CN(CC(=O)NCC1CCCC(O)C1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is OSANGOAFUPDBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(12-14-6-3-2-4-7-14)13-17(21)18-11-15-8-5-9-16(20)10-15/h2-4,6-7,15-16,20H,5,8-13H2,1H3,(H,18,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111459685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).