(E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide

C14H24N2O2 — CID 129167639

IUPAC(E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide
SMILESC=CC(=O)NCC(C)C/C=C(\C)C(=O)NC(C)C
InChIInChI=1S/C14H24N2O2/c1-6-13(17)15-9-11(4)7-8-12(5)14(18)16-10(2)3/h6,8,10-11H,1,7,9H2,2-5H3,(H,15,17)(H,16,18)/b12-8+
InChIKeySCODTNMYPBOHAV-XYOKQWHBSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds7

About (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide

(E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide (PubChem CID 129167639) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide.

Molecular Properties

Compound Name(E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide
PubChem CID129167639
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide
SMILESC=CC(=O)NCC(C)C/C=C(\C)C(=O)NC(C)C
InChIInChI=1S/C14H24N2O2/c1-6-13(17)15-9-11(4)7-8-12(5)14(18)16-10(2)3/h6,8,10-11H,1,7,9H2,2-5H3,(H,15,17)(H,16,18)/b12-8+
InChIKeySCODTNMYPBOHAV-XYOKQWHBSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide?
The IUPAC name of (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide (CID 129167639) is (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide.
What is the SMILES notation for (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide?
The canonical SMILES for (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide is C=CC(=O)NCC(C)C/C=C(\C)C(=O)NC(C)C.
What is the InChIKey of (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide?
The InChIKey is SCODTNMYPBOHAV-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-13(17)15-9-11(4)7-8-12(5)14(18)16-10(2)3/h6,8,10-11H,1,7,9H2,2-5H3,(H,15,17)(H,16,18)/b12-8+.
What are the key properties of (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide?
(E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethyl-N-propan-2-yl-6-(prop-2-enoylamino)hex-2-enamide is sourced from PubChem (CID 129167639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).