N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide

C15H28N2O3 — CID 106101003

IUPACN-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
SMILESCC1OCCC1(O)CNCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H28N2O3/c1-12-15(19,8-9-20-12)11-16-10-14(18)17-13-6-4-2-3-5-7-13/h12-13,16,19H,2-11H2,1H3,(H,17,18)
InChIKeyGERBNYREKKCZLZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.95
Rot. Bonds5

About N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide

N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide (PubChem CID 106101003) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
PubChem CID106101003
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
SMILESCC1OCCC1(O)CNCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H28N2O3/c1-12-15(19,8-9-20-12)11-16-10-14(18)17-13-6-4-2-3-5-7-13/h12-13,16,19H,2-11H2,1H3,(H,17,18)
InChIKeyGERBNYREKKCZLZ-UHFFFAOYSA-N
XLogP0.95
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101015
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
N-cycloheptyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116578
N-cyclohexyl-2-[(1-methylcyclopropyl)methylamino]acetamide
CID 107166293
N-cyclopentyl-2-[(2,3-dimethyloxolan-3-yl)amino]acetamide
CID 103581151
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106101170
N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915214
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
CID 107268371

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide (CID 106101003) is N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide is CC1OCCC1(O)CNCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
The InChIKey is GERBNYREKKCZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-15(19,8-9-20-12)11-16-10-14(18)17-13-6-4-2-3-5-7-13/h12-13,16,19H,2-11H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide has a molecular weight of 284.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide is sourced from PubChem (CID 106101003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).