N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide

C14H24N2O3 — CID 81219227

IUPACN-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
SMILESCC1COC(CO)CN1CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C14H24N2O3/c1-11-10-19-13(9-17)7-16(11)8-14(18)15(2)12-5-3-4-6-12/h5,11,13,17H,3-4,6-10H2,1-2H3
InChIKeyTVOJWNVVFLQFNV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.59
Rot. Bonds4

About N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide

N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide (PubChem CID 81219227) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
PubChem CID81219227
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
SMILESCC1COC(CO)CN1CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C14H24N2O3/c1-11-10-19-13(9-17)7-16(11)8-14(18)15(2)12-5-3-4-6-12/h5,11,13,17H,3-4,6-10H2,1-2H3
InChIKeyTVOJWNVVFLQFNV-UHFFFAOYSA-N
XLogP0.59
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219868
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 94340550
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N,N-dimethylacetamide
CID 81217721
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
CID 81219149
N-(cyclopenten-1-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 55076318
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81195757

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide (CID 81219227) is N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide is CC1COC(CO)CN1CC(=O)N(C)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The InChIKey is TVOJWNVVFLQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-10-19-13(9-17)7-16(11)8-14(18)15(2)12-5-3-4-6-12/h5,11,13,17H,3-4,6-10H2,1-2H3.
What are the key properties of N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide is sourced from PubChem (CID 81219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).