2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride

C11H19ClN2O2 — CID 71757104

IUPAC2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)Cc1ccco1.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9;/h4,6-7,10H,3,5,8,12H2,1-2H3;1H
InChIKeyVKJIVJQZKYEHEZ-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.79
Rot. Bonds5

About 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride

2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride (PubChem CID 71757104) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
PubChem CID71757104
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)Cc1ccco1.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9;/h4,6-7,10H,3,5,8,12H2,1-2H3;1H
InChIKeyVKJIVJQZKYEHEZ-UHFFFAOYSA-N
XLogP1.79
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 61154534
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
CID 113357146
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223609
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride (CID 71757104) is 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride is CCCC(N)C(=O)N(C)Cc1ccco1.Cl.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride?
The InChIKey is VKJIVJQZKYEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9;/h4,6-7,10H,3,5,8,12H2,1-2H3;1H.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride?
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 71757104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).