2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide

C12H22N2O3 — CID 46398330

IUPAC2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCOC1=O
InChIInChI=1S/C12H22N2O3/c1-4-9(5-2)14-11(15)8(3)13-10-6-7-17-12(10)16/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyZELBPALCFCJXNQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.58
Rot. Bonds6

About 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide

2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide (PubChem CID 46398330) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide
PubChem CID46398330
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCOC1=O
InChIInChI=1S/C12H22N2O3/c1-4-9(5-2)14-11(15)8(3)13-10-6-7-17-12(10)16/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyZELBPALCFCJXNQ-UHFFFAOYSA-N
XLogP0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-oxooxolan-3-yl)amino]-N-propan-2-ylpropanamide
CID 46398441
2-[(2-oxooxolan-3-yl)amino]propanoic acid
CID 14819286
3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
3-(heptan-4-ylamino)oxolan-2-one
CID 43824129
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
CID 63662471
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
2-[(1-oxothian-4-yl)amino]-N-pentan-3-ylpropanamide
CID 113479881
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
3-(1-cyclopentylethylamino)oxolan-2-one
CID 130701461
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523
2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid
CID 28896991

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide (CID 46398330) is 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1CCOC1=O.
What is the InChIKey of 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is ZELBPALCFCJXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-9(5-2)14-11(15)8(3)13-10-6-7-17-12(10)16/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide?
2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxooxolan-3-yl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 46398330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).