N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide

C12H18N2O2 — CID 166977971

IUPACN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cocc1CNC1CC1
InChIInChI=1S/C12H18N2O2/c1-3-14(9(2)15)12-8-16-7-10(12)6-13-11-4-5-11/h7-8,11,13H,3-6H2,1-2H3
InChIKeyZQHCGSXQQAFWRT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide

N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide (PubChem CID 166977971) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide
PubChem CID166977971
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cocc1CNC1CC1
InChIInChI=1S/C12H18N2O2/c1-3-14(9(2)15)12-8-16-7-10(12)6-13-11-4-5-11/h7-8,11,13H,3-6H2,1-2H3
InChIKeyZQHCGSXQQAFWRT-UHFFFAOYSA-N
XLogP1.90
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylfuran-3-yl)formamide
CID 53641024
N-ethyl-4-methylfuran-3-amine
CID 68198124
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
4-Amino-2-(propylamino)furan-3-carbonitrile
CID 141120274
Ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one
CID 143636996
2-N,2-N,4-N,4-N,3-pentamethylfuran-2,4-diamine
CID 144417232
2-N,4-N,3-trimethylfuran-2,4-diamine
CID 146299904
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779664
N-[4-(cyclopropylamino)furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779667
(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide
CID 166685516
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide
CID 170424095
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylacetamide
CID 170424174

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide (CID 166977971) is N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide is CCN(C(C)=O)c1cocc1CNC1CC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide?
The InChIKey is ZQHCGSXQQAFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14(9(2)15)12-8-16-7-10(12)6-13-11-4-5-11/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide?
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide is sourced from PubChem (CID 166977971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).