2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide

C13H22N2O2 — CID 62524546

IUPAC2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1ccc(C)o1
InChIInChI=1S/C13H22N2O2/c1-4-11(5-2)15-13(16)9-14-8-12-7-6-10(3)17-12/h6-7,11,14H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyWNUKGQWMASRAHF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.98
Rot. Bonds7

About 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide

2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide (PubChem CID 62524546) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
PubChem CID62524546
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1ccc(C)o1
InChIInChI=1S/C13H22N2O2/c1-4-11(5-2)15-13(16)9-14-8-12-7-6-10(3)17-12/h6-7,11,14H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyWNUKGQWMASRAHF-UHFFFAOYSA-N
XLogP1.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
CID 60673041
(Z)-3-methyl-4-[(5-methylfuran-2-yl)methylamino]but-2-enoic acid
CID 103249273
2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 62523523
2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
CID 54957107
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide (CID 62524546) is 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCc1ccc(C)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide?
The InChIKey is WNUKGQWMASRAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-11(5-2)15-13(16)9-14-8-12-7-6-10(3)17-12/h6-7,11,14H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide?
2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 62524546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).