N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide

C17H26N2O2 — CID 111430281

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCCC1
InChIInChI=1S/C17H26N2O2/c1-18(2)15-8-6-14(7-9-15)13-19(3)16(20)12-17(21)10-4-5-11-17/h6-9,21H,4-5,10-13H2,1-3H3
InChIKeyAFYXJINIJSJDHY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide (PubChem CID 111430281) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
PubChem CID111430281
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCCC1
InChIInChI=1S/C17H26N2O2/c1-18(2)15-8-6-14(7-9-15)13-19(3)16(20)12-17(21)10-4-5-11-17/h6-9,21H,4-5,10-13H2,1-3H3
InChIKeyAFYXJINIJSJDHY-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331598
2-[1-(aminomethyl)cyclobutyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 81173080
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43385413
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
5-[[4-(dimethylamino)phenyl]methyl-methylamino]-5-oxopentanoic acid
CID 60953988
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 104677766
1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide
CID 99704066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide (CID 111430281) is N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCCC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The InChIKey is AFYXJINIJSJDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(2)15-8-6-14(7-9-15)13-19(3)16(20)12-17(21)10-4-5-11-17/h6-9,21H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide is sourced from PubChem (CID 111430281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).