2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide

C22H36N4O3 — CID 170222080

IUPAC2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide
SMILESCCCCCCCCCC(=O)NC(C)(CC(N)=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C22H36N4O3/c1-3-4-5-6-7-8-9-13-20(28)26-22(2,17-19(23)27)21(29)25-16-14-18-12-10-11-15-24-18/h10-12,15H,3-9,13-14,16-17H2,1-2H3,(H2,23,27)(H,25,29)(H,26,28)
InChIKeyUDIWLVUOJNCGNF-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.63
Rot. Bonds15

About 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide

2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide (PubChem CID 170222080) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide.

Molecular Properties

Compound Name2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide
PubChem CID170222080
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide
SMILESCCCCCCCCCC(=O)NC(C)(CC(N)=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C22H36N4O3/c1-3-4-5-6-7-8-9-13-20(28)26-22(2,17-19(23)27)21(29)25-16-14-18-12-10-11-15-24-18/h10-12,15H,3-9,13-14,16-17H2,1-2H3,(H2,23,27)(H,25,29)(H,26,28)
InChIKeyUDIWLVUOJNCGNF-UHFFFAOYSA-N
XLogP2.63
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.63
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

(3R)-3-methyl-3-(octanoylamino)-4-oxo-4-(2-phenylethylamino)butanoic acid
CID 162388155
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
CID 115157427
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 114292605
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
CID 71328789
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170

Frequently Asked Questions

What is the IUPAC name of 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide?
The IUPAC name of 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide (CID 170222080) is 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide.
What is the SMILES notation for 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide?
The canonical SMILES for 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide is CCCCCCCCCC(=O)NC(C)(CC(N)=O)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide?
The InChIKey is UDIWLVUOJNCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-3-4-5-6-7-8-9-13-20(28)26-22(2,17-19(23)27)21(29)25-16-14-18-12-10-11-15-24-18/h10-12,15H,3-9,13-14,16-17H2,1-2H3,(H2,23,27)(H,25,29)(H,26,28).
What are the key properties of 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide?
2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide has a molecular weight of 404.56 g/mol, XLogP of 2.63, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide is sourced from PubChem (CID 170222080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).