2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C13H25N3O2 — CID 54872948

IUPAC2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCC(C)NCC(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O2/c1-4-11(2)14-9-12(17)15(3)10-13(18)16-7-5-6-8-16/h11,14H,4-10H2,1-3H3
InChIKeyOOXXLLINQCUTFM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.46
Rot. Bonds6

About 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 54872948) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID54872948
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCC(C)NCC(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O2/c1-4-11(2)14-9-12(17)15(3)10-13(18)16-7-5-6-8-16/h11,14H,4-10H2,1-3H3
InChIKeyOOXXLLINQCUTFM-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 156723729
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
2-(butan-2-ylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314481
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 54872948) is 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CCC(C)NCC(=O)N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is OOXXLLINQCUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-11(2)14-9-12(17)15(3)10-13(18)16-7-5-6-8-16/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 54872948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).