N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

C18H28N2O2 — CID 109398007

IUPACN-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(C)CC1CCCC1O
InChIInChI=1S/C18H28N2O2/c1-3-20(12-15-8-5-4-6-9-15)18(22)14-19(2)13-16-10-7-11-17(16)21/h4-6,8-9,16-17,21H,3,7,10-14H2,1-2H3
InChIKeyNOKISVHLVXGTNH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.13
Rot. Bonds7

About N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (PubChem CID 109398007) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
PubChem CID109398007
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(C)CC1CCCC1O
InChIInChI=1S/C18H28N2O2/c1-3-20(12-15-8-5-4-6-9-15)18(22)14-19(2)13-16-10-7-11-17(16)21/h4-6,8-9,16-17,21H,3,7,10-14H2,1-2H3
InChIKeyNOKISVHLVXGTNH-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 56815139
N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398219
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438
N-benzyl-2-[cyclopentyl(propan-2-yl)amino]-N-ethylacetamide
CID 56570177
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915195
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-phenacylacetamide
CID 109397769
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 109398215
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (CID 109398007) is N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is CCN(Cc1ccccc1)C(=O)CN(C)CC1CCCC1O.
What is the InChIKey of N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The InChIKey is NOKISVHLVXGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-20(12-15-8-5-4-6-9-15)18(22)14-19(2)13-16-10-7-11-17(16)21/h4-6,8-9,16-17,21H,3,7,10-14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is sourced from PubChem (CID 109398007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).