2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide

C13H25N3O — CID 114134093

IUPAC2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
SMILESCCC(C)N(C)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H25N3O/c1-5-10(2)16(4)7-6-15-13(17)11(3)12-8-14-9-12/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyYKFFZWQSHZCQBE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.75
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide

2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide (PubChem CID 114134093) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
PubChem CID114134093
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
SMILESCCC(C)N(C)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H25N3O/c1-5-10(2)16(4)7-6-15-13(17)11(3)12-8-14-9-12/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyYKFFZWQSHZCQBE-UHFFFAOYSA-N
XLogP0.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550858
2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676498
N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide
CID 131204136
3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide
CID 71854255
Trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 3016666
N-[1-(dimethylamino)propan-2-yl]-2-methylprop-2-enamide
CID 15812451
N-[2-(diethylamino)propyl]-2-methylprop-2-enamide
CID 19800683
N-[2-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 22328097
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
Ethyl-dimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943223
Ethyl-dimethyl-[1-(2-methylprop-2-enoylamino)propan-2-yl]azanium
CID 87943809

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide (CID 114134093) is 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide is CCC(C)N(C)CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
The InChIKey is YKFFZWQSHZCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-10(2)16(4)7-6-15-13(17)11(3)12-8-14-9-12/h10,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide is sourced from PubChem (CID 114134093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).