N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid

C16H30N2O4 — CID 154906812

IUPACN-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid
SMILESCCN(CC)CC1(NC(=O)CC2CCCOC2)CC1.O=CO
InChIInChI=1S/C15H28N2O2.CH2O2/c1-3-17(4-2)12-15(7-8-15)16-14(18)10-13-6-5-9-19-11-13;2-1-3/h13H,3-12H2,1-2H3,(H,16,18);1H,(H,2,3)
InChIKeyLTBNQLSNRRZVJW-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.49
Rot. Bonds7

About N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid

N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid (PubChem CID 154906812) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid.

Molecular Properties

Compound NameN-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid
PubChem CID154906812
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC NameN-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid
SMILESCCN(CC)CC1(NC(=O)CC2CCCOC2)CC1.O=CO
InChIInChI=1S/C15H28N2O2.CH2O2/c1-3-17(4-2)12-15(7-8-15)16-14(18)10-13-6-5-9-19-11-13;2-1-3/h13H,3-12H2,1-2H3,(H,16,18);1H,(H,2,3)
InChIKeyLTBNQLSNRRZVJW-UHFFFAOYSA-N
XLogP1.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
1-(oxan-3-yl)butan-2-one
CID 103847209
N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid
CID 154910174
N-(1-cyclopentylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 125446759
N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide
CID 129429475
N-[(2R,6S)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide
CID 129429474
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125444862
1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
CID 115907989
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 125442413

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid?
The IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid (CID 154906812) is N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid.
What is the SMILES notation for N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid?
The canonical SMILES for N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid is CCN(CC)CC1(NC(=O)CC2CCCOC2)CC1.O=CO.
What is the InChIKey of N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid?
The InChIKey is LTBNQLSNRRZVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.CH2O2/c1-3-17(4-2)12-15(7-8-15)16-14(18)10-13-6-5-9-19-11-13;2-1-3/h13H,3-12H2,1-2H3,(H,16,18);1H,(H,2,3).
What are the key properties of N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid?
N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid has a molecular weight of 314.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid is sourced from PubChem (CID 154906812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).