N-heptyl-3-(2H-tetrazol-5-yl)propanamide

C11H21N5O — CID 67740632

IUPACN-heptyl-3-(2H-tetrazol-5-yl)propanamide
SMILESCCCCCCCNC(=O)CCc1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-2-3-4-5-6-9-12-11(17)8-7-10-13-15-16-14-10/h2-9H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyOUBJOBGMWZKMRP-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.22
Rot. Bonds9

About N-heptyl-3-(2H-tetrazol-5-yl)propanamide

N-heptyl-3-(2H-tetrazol-5-yl)propanamide (PubChem CID 67740632) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-heptyl-3-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-heptyl-3-(2H-tetrazol-5-yl)propanamide
PubChem CID67740632
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-heptyl-3-(2H-tetrazol-5-yl)propanamide
SMILESCCCCCCCNC(=O)CCc1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-2-3-4-5-6-9-12-11(17)8-7-10-13-15-16-14-10/h2-9H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyOUBJOBGMWZKMRP-UHFFFAOYSA-N
XLogP1.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.22
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

N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
CID 118528577
N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
CID 129191004
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-tetradecylpentanamide
CID 87172595
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N-heptyl-3-(2H-tetrazol-5-yl)propanamide (CID 67740632) is N-heptyl-3-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N-heptyl-3-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N-heptyl-3-(2H-tetrazol-5-yl)propanamide is CCCCCCCNC(=O)CCc1nn[nH]n1.
What is the InChIKey of N-heptyl-3-(2H-tetrazol-5-yl)propanamide?
The InChIKey is OUBJOBGMWZKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-3-4-5-6-9-12-11(17)8-7-10-13-15-16-14-10/h2-9H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-heptyl-3-(2H-tetrazol-5-yl)propanamide?
N-heptyl-3-(2H-tetrazol-5-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 67740632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).