N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide

C16H30N2O — CID 58637536

IUPACN-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide
SMILESC=CC(=C)NCCNC(=O)CCCCCCCCC
InChIInChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-12-16(19)18-14-13-17-15(3)5-2/h5,17H,2-4,6-14H2,1H3,(H,18,19)
InChIKeyUOXRSKXNONKGNO-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.53
Rot. Bonds13

About N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide

N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide (PubChem CID 58637536) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide.

Molecular Properties

Compound NameN-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide
PubChem CID58637536
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide
SMILESC=CC(=C)NCCNC(=O)CCCCCCCCC
InChIInChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-12-16(19)18-14-13-17-15(3)5-2/h5,17H,2-4,6-14H2,1H3,(H,18,19)
InChIKeyUOXRSKXNONKGNO-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10780234
N-Allylstearamide
CID 10711070
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CID 4071942
N-prop-2-enyldecanamide
CID 277327
N-prop-2-enylundecanamide
CID 3314752
N-prop-2-enylnonanamide
CID 3349902
N-2-Propen-1-yldodecanamide
CID 5121936
N-prop-2-enyltetradecanamide
CID 10038639
N,N'-bis(prop-2-enyl)decanediamide
CID 17080126
N-[(E)-2-(dodecanoylamino)prop-1-enyl]dodecanamide
CID 87215203
2-amino-N-prop-2-enyldodecanamide
CID 88445771
N-(2-aminoprop-2-enyl)pentanamide
CID 90253964

Frequently Asked Questions

What is the IUPAC name of N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide?
The IUPAC name of N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide (CID 58637536) is N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide.
What is the SMILES notation for N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide?
The canonical SMILES for N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide is C=CC(=C)NCCNC(=O)CCCCCCCCC.
What is the InChIKey of N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide?
The InChIKey is UOXRSKXNONKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-12-16(19)18-14-13-17-15(3)5-2/h5,17H,2-4,6-14H2,1H3,(H,18,19).
What are the key properties of N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide?
N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide has a molecular weight of 266.43 g/mol, XLogP of 3.53, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(buta-1,3-dien-2-ylamino)ethyl]decanamide is sourced from PubChem (CID 58637536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).