N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide

C15H29N5O — CID 65426546

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C15H29N5O/c1-3-4-5-6-7-8-9-10-11-12-14(21)16-13(2)15-17-19-20-18-15/h13H,3-12H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyQVOJURUKLVQGKZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.30
Rot. Bonds12

About N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide

N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide (PubChem CID 65426546) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
PubChem CID65426546
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C15H29N5O/c1-3-4-5-6-7-8-9-10-11-12-14(21)16-13(2)15-17-19-20-18-15/h13H,3-12H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyQVOJURUKLVQGKZ-UHFFFAOYSA-N
XLogP3.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401
5-amino-N-[1-(2H-tetrazol-5-yl)ethyl]hexanamide
CID 82851846
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
CID 71211357
3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60912135
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 107569502
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209251
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide (CID 65426546) is N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide is CCCCCCCCCCCC(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide?
The InChIKey is QVOJURUKLVQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-3-4-5-6-7-8-9-10-11-12-14(21)16-13(2)15-17-19-20-18-15/h13H,3-12H2,1-2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide?
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide has a molecular weight of 295.43 g/mol, XLogP of 3.30, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide is sourced from PubChem (CID 65426546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).