3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen

C13H26N2O3 — CID 145466397

IUPAC3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen
SMILESCC.CCCC(N)C(=O)C(=O)NCc1ccco1.[H][H].[H][H]
InChIInChI=1S/C11H16N2O3.C2H6.2H2/c1-2-4-9(12)10(14)11(15)13-7-8-5-3-6-16-8;1-2;;/h3,5-6,9H,2,4,7,12H2,1H3,(H,13,15);1-2H3;2*1H
InChIKeyNNISBLQZFKEKKV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.11
Rot. Bonds6

About 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen

3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen (PubChem CID 145466397) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen
PubChem CID145466397
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen
SMILESCC.CCCC(N)C(=O)C(=O)NCc1ccco1.[H][H].[H][H]
InChIInChI=1S/C11H16N2O3.C2H6.2H2/c1-2-4-9(12)10(14)11(15)13-7-8-5-3-6-16-8;1-2;;/h3,5-6,9H,2,4,7,12H2,1H3,(H,13,15);1-2H3;2*1H
InChIKeyNNISBLQZFKEKKV-UHFFFAOYSA-N
XLogP2.11
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-amino-N-[1-(furan-2-yl)propan-2-yl]pentanamide
CID 43705248
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
N-(furan-2-ylmethyl)-2-(hexan-3-ylamino)propanamide
CID 62119494
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 71757104
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen (CID 145466397) is 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen is CC.CCCC(N)C(=O)C(=O)NCc1ccco1.[H][H].[H][H].
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen?
The InChIKey is NNISBLQZFKEKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.C2H6.2H2/c1-2-4-9(12)10(14)11(15)13-7-8-5-3-6-16-8;1-2;;/h3,5-6,9H,2,4,7,12H2,1H3,(H,13,15);1-2H3;2*1H.
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen?
3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen has a molecular weight of 258.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen is sourced from PubChem (CID 145466397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).