2-pentadec-1-enylbutanediamide

C19H36N2O2 — CID 140575926

IUPAC2-pentadec-1-enylbutanediamide
SMILESCCCCCCCCCCCCCC=CC(CC(N)=O)C(N)=O
InChIInChI=1S/C19H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(21)23)16-18(20)22/h14-15,17H,2-13,16H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyMQRMVLRJWNVYMS-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.22
Rot. Bonds16

About 2-pentadec-1-enylbutanediamide

2-pentadec-1-enylbutanediamide (PubChem CID 140575926) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-pentadec-1-enylbutanediamide.

Molecular Properties

Compound Name2-pentadec-1-enylbutanediamide
PubChem CID140575926
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name2-pentadec-1-enylbutanediamide
SMILESCCCCCCCCCCCCCC=CC(CC(N)=O)C(N)=O
InChIInChI=1S/C19H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(21)23)16-18(20)22/h14-15,17H,2-13,16H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyMQRMVLRJWNVYMS-UHFFFAOYSA-N
XLogP4.22
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

acetic acid;azane;2-dodec-1-enylbutanediamide
CID 174984546
(E)-2-hexadecylicos-3-enamide
CID 87517477
2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide
CID 141484953
N,N-bis(3-hydroxypropyl)-2-pentadec-1-enylbutanediamide
CID 141484984
3-sulfanylcarbonyltridec-4-enoic acid
CID 139797986
2-triacont-19-enylbutanediamide
CID 155758594
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
2-tetracos-1-enylbutanedioic acid
CID 123737122
2-tetradec-1-enylbutanedioic acid
CID 3018655
(4E,6E)-3-aminotrideca-4,6-dienamide
CID 170875725
(E)-2-(2-oxopropyl)tetradec-3-enoic acid
CID 134266543
azane;2-[(E)-oct-1-enyl]butanedioic acid
CID 173422131

Frequently Asked Questions

What is the IUPAC name of 2-pentadec-1-enylbutanediamide?
The IUPAC name of 2-pentadec-1-enylbutanediamide (CID 140575926) is 2-pentadec-1-enylbutanediamide.
What is the SMILES notation for 2-pentadec-1-enylbutanediamide?
The canonical SMILES for 2-pentadec-1-enylbutanediamide is CCCCCCCCCCCCCC=CC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-pentadec-1-enylbutanediamide?
The InChIKey is MQRMVLRJWNVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(21)23)16-18(20)22/h14-15,17H,2-13,16H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 2-pentadec-1-enylbutanediamide?
2-pentadec-1-enylbutanediamide has a molecular weight of 324.51 g/mol, XLogP of 4.22, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadec-1-enylbutanediamide is sourced from PubChem (CID 140575926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).