2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one

C16H30N2O2 — CID 130315498

IUPAC2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one
SMILESCC(C)C(=O)C(NCC(=O)N1CCCC1)C(C)C(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)13(5)15(16(20)12(3)4)17-10-14(19)18-8-6-7-9-18/h11-13,15,17H,6-10H2,1-5H3
InChIKeyCJGPYDNWTQWECN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.08
Rot. Bonds7

About 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one

2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one (PubChem CID 130315498) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one
PubChem CID130315498
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one
SMILESCC(C)C(=O)C(NCC(=O)N1CCCC1)C(C)C(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)13(5)15(16(20)12(3)4)17-10-14(19)18-8-6-7-9-18/h11-13,15,17H,6-10H2,1-5H3
InChIKeyCJGPYDNWTQWECN-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468727
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one?
The IUPAC name of 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one (CID 130315498) is 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one is CC(C)C(=O)C(NCC(=O)N1CCCC1)C(C)C(C)C.
What is the InChIKey of 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one?
The InChIKey is CJGPYDNWTQWECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)13(5)15(16(20)12(3)4)17-10-14(19)18-8-6-7-9-18/h11-13,15,17H,6-10H2,1-5H3.
What are the key properties of 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one?
2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one has a molecular weight of 282.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one is sourced from PubChem (CID 130315498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).