2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide

C14H26N2O4 — CID 141484994

IUPAC2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
SMILESCCCCC=CC(CC(N)=O)C(=O)N(CCO)CCO
InChIInChI=1S/C14H26N2O4/c1-2-3-4-5-6-12(11-13(15)19)14(20)16(7-9-17)8-10-18/h5-6,12,17-18H,2-4,7-11H2,1H3,(H2,15,19)
InChIKeyCPKKMXHMNSISJA-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.04
Rot. Bonds11

About 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide

2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide (PubChem CID 141484994) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
PubChem CID141484994
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
SMILESCCCCC=CC(CC(N)=O)C(=O)N(CCO)CCO
InChIInChI=1S/C14H26N2O4/c1-2-3-4-5-6-12(11-13(15)19)14(20)16(7-9-17)8-10-18/h5-6,12,17-18H,2-4,7-11H2,1H3,(H2,15,19)
InChIKeyCPKKMXHMNSISJA-UHFFFAOYSA-N
XLogP0.04
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-hydroxypropyl)-2-pentadec-1-enylbutanediamide
CID 141484984
N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide
CID 141484962
2-pentadec-1-enylbutanediamide
CID 140575926
2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide
CID 141484953
acetic acid;azane;2-dodec-1-enylbutanediamide
CID 174984546
2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]-2-oxoethyl]oct-3-enoate
CID 71402183
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[(E)-dodec-1-enyl]butanedioic acid
CID 6455059
2-[2-[bis(3-hydroxypropyl)amino]-2-oxoethyl]tetradec-3-enoic acid
CID 141484955
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
(E)-2-hexadecylicos-3-enamide
CID 87517477
6-[6-[2-[(Z)-hex-1-enyl]decanoyloxy]hexyl-(2-hydroxyethyl)amino]hexyl 2-hexyldecanoate
CID 142533541
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61426093

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
The IUPAC name of 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide (CID 141484994) is 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide is CCCCC=CC(CC(N)=O)C(=O)N(CCO)CCO.
What is the InChIKey of 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
The InChIKey is CPKKMXHMNSISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-4-5-6-12(11-13(15)19)14(20)16(7-9-17)8-10-18/h5-6,12,17-18H,2-4,7-11H2,1H3,(H2,15,19).
What are the key properties of 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide has a molecular weight of 286.37 g/mol, XLogP of 0.04, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 141484994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).