(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide

C13H22N2O2 — CID 113357146

IUPAC(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC)Cc1ccco1
InChIInChI=1S/C13H22N2O2/c1-3-5-8-12(14)13(16)15(4-2)10-11-7-6-9-17-11/h6-7,9,12H,3-5,8,10,14H2,1-2H3/t12-/m0/s1
InChIKeyXHYDKTQIPWWCDN-LBPRGKRZSA-N
MW238.33 g/mol
LogP2.15
Rot. Bonds7

About (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide

(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide (PubChem CID 113357146) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
PubChem CID113357146
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC)Cc1ccco1
InChIInChI=1S/C13H22N2O2/c1-3-5-8-12(14)13(16)15(4-2)10-11-7-6-9-17-11/h6-7,9,12H,3-5,8,10,14H2,1-2H3/t12-/m0/s1
InChIKeyXHYDKTQIPWWCDN-LBPRGKRZSA-N
XLogP2.15
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
CID 76894772
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 71757104
2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61421365
(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide
CID 50972162
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
(2S)-2-amino-N-[1-(furan-2-yl)propan-2-yl]hexanamide
CID 103950106
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide (CID 113357146) is (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide is CCCC[C@H](N)C(=O)N(CC)Cc1ccco1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide?
The InChIKey is XHYDKTQIPWWCDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-8-12(14)13(16)15(4-2)10-11-7-6-9-17-11/h6-7,9,12H,3-5,8,10,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide?
(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide has a molecular weight of 238.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 113357146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).