N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide

C25H42N4O3 — CID 143739581

IUPACN-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)NC(C)CCC(=O)NCc1ccncc1
InChIInChI=1S/C25H42N4O3/c1-3-4-5-6-7-8-9-10-11-12-23(30)28-20-25(32)29-21(2)13-14-24(31)27-19-22-15-17-26-18-16-22/h15-18,21H,3-14,19-20H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyUNEGCZQDIFKXNO-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.02
Rot. Bonds18

About N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide

N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide (PubChem CID 143739581) has the molecular formula C25H42N4O3 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
PubChem CID143739581
Molecular FormulaC25H42N4O3
Molecular Weight446.64 g/mol
Exact Mass446.33
IUPAC NameN-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)NC(C)CCC(=O)NCc1ccncc1
InChIInChI=1S/C25H42N4O3/c1-3-4-5-6-7-8-9-10-11-12-23(30)28-20-25(32)29-21(2)13-14-24(31)27-19-22-15-17-26-18-16-22/h15-18,21H,3-14,19-20H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyUNEGCZQDIFKXNO-UHFFFAOYSA-N
XLogP4.02
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
11-[[(2R)-2-(decanoylamino)-4-methylsulfanylbutanoyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 25030615
11-[[2-(decanoylamino)-5-methylsulfanylpentanoyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069938
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-benzylundecanamide
CID 5078198
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide?
The IUPAC name of N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide (CID 143739581) is N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide.
What is the SMILES notation for N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide?
The canonical SMILES for N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC(=O)NC(C)CCC(=O)NCc1ccncc1.
What is the InChIKey of N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide?
The InChIKey is UNEGCZQDIFKXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O3/c1-3-4-5-6-7-8-9-10-11-12-23(30)28-20-25(32)29-21(2)13-14-24(31)27-19-22-15-17-26-18-16-22/h15-18,21H,3-14,19-20H2,1-2H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide?
N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide has a molecular weight of 446.64 g/mol, XLogP of 4.02, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide is sourced from PubChem (CID 143739581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).