N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide

C13H25N3O2 — CID 54871684

IUPACN-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide
SMILESCCC(C)NCC(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H25N3O2/c1-3-10(2)15-8-13(18)16(9-12(14)17)11-6-4-5-7-11/h10-11,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyJGHYAIQBBBXJID-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide

N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide (PubChem CID 54871684) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide
PubChem CID54871684
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide
SMILESCCC(C)NCC(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H25N3O2/c1-3-10(2)15-8-13(18)16(9-12(14)17)11-6-4-5-7-11/h10-11,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyJGHYAIQBBBXJID-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(propan-2-ylamino)acetamide
CID 54871672
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282
2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
CID 54873874
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 54873932
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493
N-cyclopropyl-N-ethyl-2-(5-methylhexan-2-ylamino)acetamide
CID 63928127
N-cyclopropyl-2-[1-(dimethylamino)propan-2-ylamino]-N-ethylacetamide
CID 82938894
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
2-acetamido-N-(2-amino-2-oxoethyl)-N-piperidin-3-ylacetamide
CID 60799984

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide (CID 54871684) is N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide is CCC(C)NCC(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide?
The InChIKey is JGHYAIQBBBXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10(2)15-8-13(18)16(9-12(14)17)11-6-4-5-7-11/h10-11,15H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide?
N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide is sourced from PubChem (CID 54871684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).