N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide

C20H37N5O — CID 118528577

IUPACN-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
SMILESCCCCCCC(=O)NCCCC/C=C\CCCCCCc1nn[nH]n1
InChIInChI=1S/C20H37N5O/c1-2-3-4-14-17-20(26)21-18-15-12-10-8-6-5-7-9-11-13-16-19-22-24-25-23-19/h6,8H,2-5,7,9-18H2,1H3,(H,21,26)(H,22,23,24,25)/b8-6-
InChIKeyBZLMRSRJYLXOMG-VURMDHGXSA-N
MW363.55 g/mol
LogP4.51
Rot. Bonds17

About N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide

N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide (PubChem CID 118528577) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide.

Molecular Properties

Compound NameN-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
PubChem CID118528577
Molecular FormulaC20H37N5O
Molecular Weight363.55 g/mol
Exact Mass363.30
IUPAC NameN-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
SMILESCCCCCCC(=O)NCCCC/C=C\CCCCCCc1nn[nH]n1
InChIInChI=1S/C20H37N5O/c1-2-3-4-14-17-20(26)21-18-15-12-10-8-6-5-7-9-11-13-16-19-22-24-25-23-19/h6,8H,2-5,7,9-18H2,1H3,(H,21,26)(H,22,23,24,25)/b8-6-
InChIKeyBZLMRSRJYLXOMG-VURMDHGXSA-N
XLogP4.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
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-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
CID 129191004
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
5-[(Z)-heptadec-8-enyl]-2H-tetrazole
CID 11088104
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide?
The IUPAC name of N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide (CID 118528577) is N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide.
What is the SMILES notation for N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide?
The canonical SMILES for N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide is CCCCCCC(=O)NCCCC/C=C\CCCCCCc1nn[nH]n1.
What is the InChIKey of N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide?
The InChIKey is BZLMRSRJYLXOMG-VURMDHGXSA-N. The full InChI is InChI=1S/C20H37N5O/c1-2-3-4-14-17-20(26)21-18-15-12-10-8-6-5-7-9-11-13-16-19-22-24-25-23-19/h6,8H,2-5,7,9-18H2,1H3,(H,21,26)(H,22,23,24,25)/b8-6-.
What are the key properties of N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide?
N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide has a molecular weight of 363.55 g/mol, XLogP of 4.51, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide is sourced from PubChem (CID 118528577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).