N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide

C12H22N2O2 — CID 115877302

IUPACN-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
SMILESCC(CO)N(C)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(9-15)13(2)8-12(16)14(3)11-6-4-5-7-11/h6,10,15H,4-5,7-9H2,1-3H3
InChIKeyFNFIOECKBMYCQY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.83
Rot. Bonds5

About N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide

N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide (PubChem CID 115877302) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
PubChem CID115877302
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
SMILESCC(CO)N(C)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(9-15)13(2)8-12(16)14(3)11-6-4-5-7-11/h6,10,15H,4-5,7-9H2,1-3H3
InChIKeyFNFIOECKBMYCQY-UHFFFAOYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexen-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
CID 53531645
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103864828
N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 103865000
N-(cyclohexen-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103865019
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 107485088
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107485411
N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 107485682
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442341
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442661
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 52309312
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900285
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900337

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide (CID 115877302) is N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide is CC(CO)N(C)CC(=O)N(C)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide?
The InChIKey is FNFIOECKBMYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(9-15)13(2)8-12(16)14(3)11-6-4-5-7-11/h6,10,15H,4-5,7-9H2,1-3H3.
What are the key properties of N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide?
N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 115877302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).