(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide

C13H22N2O2 — CID 103928680

IUPAC(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)[C@H](N)C(C)(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-8-6-7-10(17-8)9(2)15-12(16)11(14)13(3,4)5/h6-7,9,11H,14H2,1-5H3,(H,15,16)/t9?,11-/m0/s1
InChIKeyRLINZKFSHJDEGJ-UMJHXOGRSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide (PubChem CID 103928680) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
PubChem CID103928680
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)[C@H](N)C(C)(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-8-6-7-10(17-8)9(2)15-12(16)11(14)13(3,4)5/h6-7,9,11H,14H2,1-5H3,(H,15,16)/t9?,11-/m0/s1
InChIKeyRLINZKFSHJDEGJ-UMJHXOGRSA-N
XLogP2.14
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-(2-oxo-3-azepanyl)-2-furamide
CID 2813196
N-{2-[(4-methylcyclohexyl)amino]ethyl}furan-2-carboxamide
CID 3156885

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide (CID 103928680) is (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide is Cc1ccc(C(C)NC(=O)[C@H](N)C(C)(C)C)o1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
The InChIKey is RLINZKFSHJDEGJ-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-6-7-10(17-8)9(2)15-12(16)11(14)13(3,4)5/h6-7,9,11H,14H2,1-5H3,(H,15,16)/t9?,11-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 103928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).