(Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide

C11H21NO3 — CID 59696146

IUPAC(Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide
SMILESCCC/C=C\CC(=O)N(CCO)CCO
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-11(15)12(7-9-13)8-10-14/h4-5,13-14H,2-3,6-10H2,1H3/b5-4-
InChIKeyLJYWDBIKGVPNIS-PLNGDYQASA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds8

About (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide

(Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide (PubChem CID 59696146) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide.

Molecular Properties

Compound Name(Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide
PubChem CID59696146
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide
SMILESCCC/C=C\CC(=O)N(CCO)CCO
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-11(15)12(7-9-13)8-10-14/h4-5,13-14H,2-3,6-10H2,1H3/b5-4-
InChIKeyLJYWDBIKGVPNIS-PLNGDYQASA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide
CID 87163900
2-[[(E)-hept-3-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277766
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
ethyl hept-3-enoate
CID 533698
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]propanamide
CID 110907242
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
(E)-N,N-dimethyloct-4-enamide
CID 13308679
(E)-N,N-dimethyldec-3-enamide
CID 11321540
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
(E)-N-[2-[2-hydroxyethyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285699

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide?
The IUPAC name of (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide (CID 59696146) is (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide.
What is the SMILES notation for (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide?
The canonical SMILES for (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide is CCC/C=C\CC(=O)N(CCO)CCO.
What is the InChIKey of (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide?
The InChIKey is LJYWDBIKGVPNIS-PLNGDYQASA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-6-11(15)12(7-9-13)8-10-14/h4-5,13-14H,2-3,6-10H2,1H3/b5-4-.
What are the key properties of (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide?
(Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide has a molecular weight of 215.29 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis(2-hydroxyethyl)hept-3-enamide is sourced from PubChem (CID 59696146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).