(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide

C14H22N2O3 — CID 110349165

IUPAC(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)N[C@H](C(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)12(16-13(17)10(3)4)14(18)15-8-11-6-5-7-19-11/h5-7,9-10,12H,8H2,1-4H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyGSZJFPHWOZMYIE-LBPRGKRZSA-N
MW266.34 g/mol
LogP1.69
Rot. Bonds6

About (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide (PubChem CID 110349165) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
PubChem CID110349165
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)N[C@H](C(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)12(16-13(17)10(3)4)14(18)15-8-11-6-5-7-19-11/h5-7,9-10,12H,8H2,1-4H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyGSZJFPHWOZMYIE-LBPRGKRZSA-N
XLogP1.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43011713
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
CID 110349208
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
CID 110349251
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
CID 42426854
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide (CID 110349165) is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide is CC(C)C(=O)N[C@H](C(=O)NCc1ccco1)C(C)C.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide?
The InChIKey is GSZJFPHWOZMYIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)12(16-13(17)10(3)4)14(18)15-8-11-6-5-7-19-11/h5-7,9-10,12H,8H2,1-4H3,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide?
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 110349165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).