N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide

C13H20N2O2 — CID 102873978

IUPACN-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C2CCC2)co1
InChIInChI=1S/C13H20N2O2/c1-10-8-11(9-17-10)13(16)15(7-3-6-14)12-4-2-5-12/h8-9,12H,2-7,14H2,1H3
InChIKeyMKJILEPTCIJRDK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide

N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide (PubChem CID 102873978) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
PubChem CID102873978
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C2CCC2)co1
InChIInChI=1S/C13H20N2O2/c1-10-8-11(9-17-10)13(16)15(7-3-6-14)12-4-2-5-12/h8-9,12H,2-7,14H2,1H3
InChIKeyMKJILEPTCIJRDK-UHFFFAOYSA-N
XLogP1.93
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
CID 114823139
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide (CID 102873978) is N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide is Cc1cc(C(=O)N(CCCN)C2CCC2)co1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
The InChIKey is MKJILEPTCIJRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-11(9-17-10)13(16)15(7-3-6-14)12-4-2-5-12/h8-9,12H,2-7,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.93, 5 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-methylfuran-3-carboxamide is sourced from PubChem (CID 102873978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).