N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide

C14H22N2O2 — CID 102873797

IUPACN-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCN)C2CCC2)o1
InChIInChI=1S/C14H22N2O2/c1-2-12-7-8-13(18-12)14(17)16(10-4-9-15)11-5-3-6-11/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyMNOYYPLPPLUSHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.19
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide

N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide (PubChem CID 102873797) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
PubChem CID102873797
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCN)C2CCC2)o1
InChIInChI=1S/C14H22N2O2/c1-2-12-7-8-13(18-12)14(17)16(10-4-9-15)11-5-3-6-11/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyMNOYYPLPPLUSHF-UHFFFAOYSA-N
XLogP2.19
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide (CID 102873797) is N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)N(CCCN)C2CCC2)o1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide?
The InChIKey is MNOYYPLPPLUSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-12-7-8-13(18-12)14(17)16(10-4-9-15)11-5-3-6-11/h7-8,11H,2-6,9-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide?
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 102873797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).