2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide

C13H27N3O2 — CID 51081968

IUPAC2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)NC(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-5-6-7-16(8-12(14)17)9-13(18)15-11(4)10(2)3/h10-11H,5-9H2,1-4H3,(H2,14,17)(H,15,18)
InChIKeyJMKWHHBLMHOVLG-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.73
Rot. Bonds9

About 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide

2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide (PubChem CID 51081968) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
PubChem CID51081968
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)NC(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-5-6-7-16(8-12(14)17)9-13(18)15-11(4)10(2)3/h10-11H,5-9H2,1-4H3,(H2,14,17)(H,15,18)
InChIKeyJMKWHHBLMHOVLG-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691833
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60685750
2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
CID 47040095
2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 107425454
3-[ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55122915
2-[butyl(2-hydroxyethyl)amino]-N-pentan-2-ylacetamide
CID 60689454
3-[[2-(butan-2-ylamino)-2-oxoethyl]-butylamino]propanoic acid
CID 82327333
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60730087
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide (CID 51081968) is 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is JMKWHHBLMHOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-6-7-16(8-12(14)17)9-13(18)15-11(4)10(2)3/h10-11H,5-9H2,1-4H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide?
2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 51081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).