(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide

C14H27NO3 — CID 141368714

IUPAC(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide
SMILESC/C=C/C(C)CCC(=O)N(CCOC)CCOC
InChIInChI=1S/C14H27NO3/c1-5-6-13(2)7-8-14(16)15(9-11-17-3)10-12-18-4/h5-6,13H,7-12H2,1-4H3/b6-5+
InChIKeyZXALHHNOWLDAPN-AATRIKPKSA-N
MW257.37 g/mol
LogP2.10
Rot. Bonds10

About (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide

(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide (PubChem CID 141368714) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide
PubChem CID141368714
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide
SMILESC/C=C/C(C)CCC(=O)N(CCOC)CCOC
InChIInChI=1S/C14H27NO3/c1-5-6-13(2)7-8-14(16)15(9-11-17-3)10-12-18-4/h5-6,13H,7-12H2,1-4H3/b6-5+
InChIKeyZXALHHNOWLDAPN-AATRIKPKSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide?
The IUPAC name of (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide (CID 141368714) is (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide.
What is the SMILES notation for (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide?
The canonical SMILES for (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide is C/C=C/C(C)CCC(=O)N(CCOC)CCOC.
What is the InChIKey of (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide?
The InChIKey is ZXALHHNOWLDAPN-AATRIKPKSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-13(2)7-8-14(16)15(9-11-17-3)10-12-18-4/h5-6,13H,7-12H2,1-4H3/b6-5+.
What are the key properties of (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide?
(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide has a molecular weight of 257.37 g/mol, XLogP of 2.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide is sourced from PubChem (CID 141368714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).