2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide

C17H26N2O2 — CID 91829683

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide
SMILESCN(CC(=O)N(C)c1ccccc1)CC1(CO)CCCC1
InChIInChI=1S/C17H26N2O2/c1-18(13-17(14-20)10-6-7-11-17)12-16(21)19(2)15-8-4-3-5-9-15/h3-5,8-9,20H,6-7,10-14H2,1-2H3
InChIKeySUIYUDNNTGVCFR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.13
Rot. Bonds6

About 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide

2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide (PubChem CID 91829683) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide
PubChem CID91829683
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide
SMILESCN(CC(=O)N(C)c1ccccc1)CC1(CO)CCCC1
InChIInChI=1S/C17H26N2O2/c1-18(13-17(14-20)10-6-7-11-17)12-16(21)19(2)15-8-4-3-5-9-15/h3-5,8-9,20H,6-7,10-14H2,1-2H3
InChIKeySUIYUDNNTGVCFR-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide (CID 91829683) is 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide is CN(CC(=O)N(C)c1ccccc1)CC1(CO)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide?
The InChIKey is SUIYUDNNTGVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(13-17(14-20)10-6-7-11-17)12-16(21)19(2)15-8-4-3-5-9-15/h3-5,8-9,20H,6-7,10-14H2,1-2H3.
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide?
2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 91829683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).