N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide

C10H20N2O2 — CID 103021661

IUPACN-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC/C=C/CN
InChIInChI=1S/C10H20N2O2/c1-10(2,14-3)8-9(13)12-7-5-4-6-11/h4-5H,6-8,11H2,1-3H3,(H,12,13)/b5-4+
InChIKeyRCYBSLMRCKPCKG-SNAWJCMRSA-N
MW200.28 g/mol
LogP0.43
Rot. Bonds6

About N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide

N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide (PubChem CID 103021661) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide
PubChem CID103021661
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC/C=C/CN
InChIInChI=1S/C10H20N2O2/c1-10(2,14-3)8-9(13)12-7-5-4-6-11/h4-5H,6-8,11H2,1-3H3,(H,12,13)/b5-4+
InChIKeyRCYBSLMRCKPCKG-SNAWJCMRSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide (CID 103021661) is N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NC/C=C/CN.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide?
The InChIKey is RCYBSLMRCKPCKG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,14-3)8-9(13)12-7-5-4-6-11/h4-5H,6-8,11H2,1-3H3,(H,12,13)/b5-4+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide?
N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide has a molecular weight of 200.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).