N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide

C12H21N3O2 — CID 79394765

IUPACN-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
SMILESO=C(CCNCCC(=O)NC1CC1)NC1CC1
InChIInChI=1S/C12H21N3O2/c16-11(14-9-1-2-9)5-7-13-8-6-12(17)15-10-3-4-10/h9-10,13H,1-8H2,(H,14,16)(H,15,17)
InChIKeyLYFSXHMFGZVMOF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.09
Rot. Bonds8

About N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide

N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide (PubChem CID 79394765) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
PubChem CID79394765
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
SMILESO=C(CCNCCC(=O)NC1CC1)NC1CC1
InChIInChI=1S/C12H21N3O2/c16-11(14-9-1-2-9)5-7-13-8-6-12(17)15-10-3-4-10/h9-10,13H,1-8H2,(H,14,16)(H,15,17)
InChIKeyLYFSXHMFGZVMOF-UHFFFAOYSA-N
XLogP-0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide (CID 79394765) is N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide is O=C(CCNCCC(=O)NC1CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide?
The InChIKey is LYFSXHMFGZVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(14-9-1-2-9)5-7-13-8-6-12(17)15-10-3-4-10/h9-10,13H,1-8H2,(H,14,16)(H,15,17).
What are the key properties of N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide?
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 79394765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).