N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide

C24H46N6O2 — CID 129191004

IUPACN-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
SMILESCCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C24H46N6O2/c1-2-20-25-24(32)19-16-21-26-23(31)18-15-13-11-9-7-5-3-4-6-8-10-12-14-17-22-27-29-30-28-22/h2-21H2,1H3,(H,25,32)(H,26,31)(H,27,28,29,30)
InChIKeyPYQRSKVSVGHXEM-UHFFFAOYSA-N
MW450.67 g/mol
LogP4.63
Rot. Bonds22

About N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide

N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide (PubChem CID 129191004) has the molecular formula C24H46N6O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide.

Molecular Properties

Compound NameN-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
PubChem CID129191004
Molecular FormulaC24H46N6O2
Molecular Weight450.67 g/mol
Exact Mass450.37
IUPAC NameN-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
SMILESCCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C24H46N6O2/c1-2-20-25-24(32)19-16-21-26-23(31)18-15-13-11-9-7-5-3-4-6-8-10-12-14-17-22-27-29-30-28-22/h2-21H2,1H3,(H,25,32)(H,26,31)(H,27,28,29,30)
InChIKeyPYQRSKVSVGHXEM-UHFFFAOYSA-N
XLogP4.63
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
N-methylsulfonyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 130331563
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
CID 129310162
N,N'-dipropyldecanediamide
CID 102239298
2-methyl-4-oxo-7-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]heptanoic acid
CID 161359933
N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 163659727
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-(2H-tetrazol-5-yl)butanamide
CID 136573372
5-pentyl-2H-tetrazole
CID 139080284
2-[3-(methylamino)-3-oxopropyl]-4-oxo-7-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]heptanoic acid
CID 162072611
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
N-[4-(methylamino)-4-oxobutyl]sulfonyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 67104639

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide?
The IUPAC name of N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide (CID 129191004) is N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide.
What is the SMILES notation for N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide?
The canonical SMILES for N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide is CCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1.
What is the InChIKey of N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide?
The InChIKey is PYQRSKVSVGHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N6O2/c1-2-20-25-24(32)19-16-21-26-23(31)18-15-13-11-9-7-5-3-4-6-8-10-12-14-17-22-27-29-30-28-22/h2-21H2,1H3,(H,25,32)(H,26,31)(H,27,28,29,30).
What are the key properties of N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide?
N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide has a molecular weight of 450.67 g/mol, XLogP of 4.63, 22 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide is sourced from PubChem (CID 129191004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).