N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide

C13H22N2O3 — CID 119569164

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(COC)o1
InChIInChI=1S/C13H22N2O3/c1-4-13(5-2,9-14)15-12(16)11-7-6-10(18-11)8-17-3/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyJKBPRXFWJRTUIB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.67
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 119569164) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID119569164
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(COC)o1
InChIInChI=1S/C13H22N2O3/c1-4-13(5-2,9-14)15-12(16)11-7-6-10(18-11)8-17-3/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyJKBPRXFWJRTUIB-UHFFFAOYSA-N
XLogP1.67
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
CID 119569299
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113435006
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
N-(2-hydroxy-2,3-dimethylpentyl)-5-(methoxymethyl)furan-2-carboxamide
CID 111446484

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide (CID 119569164) is N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide is CCC(CC)(CN)NC(=O)c1ccc(COC)o1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is JKBPRXFWJRTUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-13(5-2,9-14)15-12(16)11-7-6-10(18-11)8-17-3/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 119569164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).