3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide

C12H25N3O — CID 142174078

IUPAC3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide
SMILESC=C(CCN(C)CCCC)NCCC(N)=O
InChIInChI=1S/C12H25N3O/c1-4-5-9-15(3)10-7-11(2)14-8-6-12(13)16/h14H,2,4-10H2,1,3H3,(H2,13,16)
InChIKeyZOBFTGCYDXCEBB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.09
Rot. Bonds10

About 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide

3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide (PubChem CID 142174078) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide.

Molecular Properties

Compound Name3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide
PubChem CID142174078
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide
SMILESC=C(CCN(C)CCCC)NCCC(N)=O
InChIInChI=1S/C12H25N3O/c1-4-5-9-15(3)10-7-11(2)14-8-6-12(13)16/h14H,2,4-10H2,1,3H3,(H2,13,16)
InChIKeyZOBFTGCYDXCEBB-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide?
The IUPAC name of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide (CID 142174078) is 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide.
What is the SMILES notation for 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide?
The canonical SMILES for 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide is C=C(CCN(C)CCCC)NCCC(N)=O.
What is the InChIKey of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide?
The InChIKey is ZOBFTGCYDXCEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-9-15(3)10-7-11(2)14-8-6-12(13)16/h14H,2,4-10H2,1,3H3,(H2,13,16).
What are the key properties of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide?
3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide has a molecular weight of 227.35 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide is sourced from PubChem (CID 142174078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).