(E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide

C10H18N2O2 — CID 6442989

IUPAC(E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
SMILESCC/C=C(\CCC)C(=O)NCC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,14)/b8-5+
InChIKeyOKTDCQVWKNPNEU-VMPITWQZSA-N
MW198.27 g/mol
LogP0.72
Rot. Bonds6

About (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide

(E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide (PubChem CID 6442989) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
PubChem CID6442989
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
SMILESCC/C=C(\CCC)C(=O)NCC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,14)/b8-5+
InChIKeyOKTDCQVWKNPNEU-VMPITWQZSA-N
XLogP0.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 11198073
CID 11198073
CID 60105800
CID 60105800
CID 23531064
CID 23531064
CID 366725
CID 366725
CID 72052087
CID 72052087
CID 72155653
CID 72155653
CID 73951663
CID 73951663
CID 97540193
CID 97540193
CID 175139623
CID 175139623
CID 59266736
CID 59266736
CID 59266737
CID 59266737
CID 72265550
CID 72265550

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide (CID 6442989) is (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide is CC/C=C(\CCC)C(=O)NCC(N)=O.
What is the InChIKey of (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
The InChIKey is OKTDCQVWKNPNEU-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,14)/b8-5+.
What are the key properties of (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide?
(E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide is sourced from PubChem (CID 6442989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).