N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide

C12H20N2O2 — CID 104788701

IUPACN-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCC(C)CNC(=O)CCNC1=CC(=O)CC1
InChIInChI=1S/C12H20N2O2/c1-9(2)8-14-12(16)5-6-13-10-3-4-11(15)7-10/h7,9,13H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyYKQOXWXCWAQSMU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.99
Rot. Bonds6

About N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide

N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide (PubChem CID 104788701) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide
PubChem CID104788701
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCC(C)CNC(=O)CCNC1=CC(=O)CC1
InChIInChI=1S/C12H20N2O2/c1-9(2)8-14-12(16)5-6-13-10-3-4-11(15)7-10/h7,9,13H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyYKQOXWXCWAQSMU-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410836
2-amino-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]benzoic acid
CID 104500891
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694
3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106251449
3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410782

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide (CID 104788701) is N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide is CC(C)CNC(=O)CCNC1=CC(=O)CC1.
What is the InChIKey of N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide?
The InChIKey is YKQOXWXCWAQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)8-14-12(16)5-6-13-10-3-4-11(15)7-10/h7,9,13H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide?
N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide is sourced from PubChem (CID 104788701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).