2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide

C13H27N3O2 — CID 43420332

IUPAC2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC(=O)NC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-7-10(4)16-13(18)11(5)14-8-12(17)15-9(2)3/h9-11,14H,6-8H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyZFILHPVFGKERFS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.79
Rot. Bonds8

About 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide

2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide (PubChem CID 43420332) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
PubChem CID43420332
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC(=O)NC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-7-10(4)16-13(18)11(5)14-8-12(17)15-9(2)3/h9-11,14H,6-8H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyZFILHPVFGKERFS-UHFFFAOYSA-N
XLogP0.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
N-pentan-2-yl-2-(prop-2-enylamino)propanamide
CID 43113010
2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-2-ylpropanamide
CID 65109113
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
2-[2-[di(propan-2-yl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 43113241
2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
CID 21016265
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide (CID 43420332) is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCC(=O)NC(C)C.
What is the InChIKey of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide?
The InChIKey is ZFILHPVFGKERFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-7-10(4)16-13(18)11(5)14-8-12(17)15-9(2)3/h9-11,14H,6-8H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide?
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43420332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).