N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide

C11H21N3O2 — CID 79394133

IUPACN-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
SMILESCNC(=O)CCNCCCC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-12-10(15)6-8-13-7-2-3-11(16)14-9-4-5-9/h9,13H,2-8H2,1H3,(H,12,15)(H,14,16)
InChIKeyMGDFMUYAEOCSPY-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.23
Rot. Bonds8

About N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide

N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide (PubChem CID 79394133) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
PubChem CID79394133
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
SMILESCNC(=O)CCNCCCC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-12-10(15)6-8-13-7-2-3-11(16)14-9-4-5-9/h9,13H,2-8H2,1H3,(H,12,15)(H,14,16)
InChIKeyMGDFMUYAEOCSPY-UHFFFAOYSA-N
XLogP-0.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.23
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-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide (CID 79394133) is N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide is CNC(=O)CCNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide?
The InChIKey is MGDFMUYAEOCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-10(15)6-8-13-7-2-3-11(16)14-9-4-5-9/h9,13H,2-8H2,1H3,(H,12,15)(H,14,16).
What are the key properties of N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide?
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide is sourced from PubChem (CID 79394133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).