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

C13H20N2O2 — CID 170424095

IUPACN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1cocc1CNC1CC1
InChIInChI=1S/C13H20N2O2/c1-3-13(16)15(4-2)12-9-17-8-10(12)7-14-11-5-6-11/h8-9,11,14H,3-7H2,1-2H3
InChIKeyKZYMQEJNQVMPHQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds6

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

N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide (PubChem CID 170424095) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide
PubChem CID170424095
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1cocc1CNC1CC1
InChIInChI=1S/C13H20N2O2/c1-3-13(16)15(4-2)12-9-17-8-10(12)7-14-11-5-6-11/h8-9,11,14H,3-7H2,1-2H3
InChIKeyKZYMQEJNQVMPHQ-UHFFFAOYSA-N
XLogP2.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
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-ethylacetamide
CID 166977971
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-ethylpropanamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide (CID 170424095) is N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide is CCC(=O)N(CC)c1cocc1CNC1CC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide?
The InChIKey is KZYMQEJNQVMPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-13(16)15(4-2)12-9-17-8-10(12)7-14-11-5-6-11/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide?
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 2.29, 6 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-ethylpropanamide is sourced from PubChem (CID 170424095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).