N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide

C17H24N2O3 — CID 111459956

IUPACN-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCC1CCCC(O)C1)C(=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-19(17(22)14-7-3-2-4-8-14)12-16(21)18-11-13-6-5-9-15(20)10-13/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H,18,21)
InChIKeyIBOMVTOHADPUTO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.43
Rot. Bonds5

About N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 111459956) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID111459956
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCC1CCCC(O)C1)C(=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-19(17(22)14-7-3-2-4-8-14)12-16(21)18-11-13-6-5-9-15(20)10-13/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H,18,21)
InChIKeyIBOMVTOHADPUTO-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111460252
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-[acetyl(methyl)amino]-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280418
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
CID 49214789
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460132

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide (CID 111459956) is N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCC1CCCC(O)C1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is IBOMVTOHADPUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(17(22)14-7-3-2-4-8-14)12-16(21)18-11-13-6-5-9-15(20)10-13/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H,18,21).
What are the key properties of N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 111459956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).