11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide

C29H50N4O3 — CID 71069950

IUPAC11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NCCCCCCCCCCC(=O)NCc1ccncc1
InChIInChI=1S/C29H50N4O3/c1-2-3-4-5-8-11-15-18-28(35)33-25-29(36)31-21-16-13-10-7-6-9-12-14-17-27(34)32-24-26-19-22-30-23-20-26/h19-20,22-23H,2-18,21,24-25H2,1H3,(H,31,36)(H,32,34)(H,33,35)
InChIKeyZONDZEHSOSHEJV-UHFFFAOYSA-N
MW502.74 g/mol
LogP5.58
Rot. Bonds23

About 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide

11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide (PubChem CID 71069950) has the molecular formula C29H50N4O3 and a molecular weight of 502.74 g/mol. Its IUPAC name is 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide.

Molecular Properties

Compound Name11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
PubChem CID71069950
Molecular FormulaC29H50N4O3
Molecular Weight502.74 g/mol
Exact Mass502.39
IUPAC Name11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NCCCCCCCCCCC(=O)NCc1ccncc1
InChIInChI=1S/C29H50N4O3/c1-2-3-4-5-8-11-15-18-28(35)33-25-29(36)31-21-16-13-10-7-6-9-12-14-17-27(34)32-24-26-19-22-30-23-20-26/h19-20,22-23H,2-18,21,24-25H2,1H3,(H,31,36)(H,32,34)(H,33,35)
InChIKeyZONDZEHSOSHEJV-UHFFFAOYSA-N
XLogP5.58
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.74
LogP ≤ 55.58
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
N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
CID 143739581
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
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-(5-pyridin-4-ylsulfanylpentyl)decanamide
CID 15295254
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide?
The IUPAC name of 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide (CID 71069950) is 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide.
What is the SMILES notation for 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide?
The canonical SMILES for 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide is CCCCCCCCCC(=O)NCC(=O)NCCCCCCCCCCC(=O)NCc1ccncc1.
What is the InChIKey of 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide?
The InChIKey is ZONDZEHSOSHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N4O3/c1-2-3-4-5-8-11-15-18-28(35)33-25-29(36)31-21-16-13-10-7-6-9-12-14-17-27(34)32-24-26-19-22-30-23-20-26/h19-20,22-23H,2-18,21,24-25H2,1H3,(H,31,36)(H,32,34)(H,33,35).
What are the key properties of 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide?
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide has a molecular weight of 502.74 g/mol, XLogP of 5.58, 23 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide is sourced from PubChem (CID 71069950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).