(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide

C14H22N2O2 — CID 58165361

IUPAC(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide
SMILESC/C=C/C(=O)NC1CCCCC1NC(=O)/C=C/C
InChIInChI=1S/C14H22N2O2/c1-3-7-13(17)15-11-9-5-6-10-12(11)16-14(18)8-4-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,15,17)(H,16,18)/b7-3+,8-4+
InChIKeyDNRHTVQMPPDXKZ-FCXRPNKRSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds4

About (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide

(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide (PubChem CID 58165361) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide
PubChem CID58165361
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide
SMILESC/C=C/C(=O)NC1CCCCC1NC(=O)/C=C/C
InChIInChI=1S/C14H22N2O2/c1-3-7-13(17)15-11-9-5-6-10-12(11)16-14(18)8-4-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,15,17)(H,16,18)/b7-3+,8-4+
InChIKeyDNRHTVQMPPDXKZ-FCXRPNKRSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
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)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide (CID 58165361) is (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide is C/C=C/C(=O)NC1CCCCC1NC(=O)/C=C/C.
What is the InChIKey of (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide?
The InChIKey is DNRHTVQMPPDXKZ-FCXRPNKRSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-7-13(17)15-11-9-5-6-10-12(11)16-14(18)8-4-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,15,17)(H,16,18)/b7-3+,8-4+.
What are the key properties of (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide?
(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide has a molecular weight of 250.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide is sourced from PubChem (CID 58165361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).