2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide

C13H16N4O2 — CID 116675705

IUPAC2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NC(N)=O)c1)=C1CNC1
InChIInChI=1S/C13H16N4O2/c1-8(9-6-15-7-9)12(18)16-10-3-2-4-11(5-10)17-13(14)19/h2-5,15H,6-7H2,1H3,(H,16,18)(H3,14,17,19)
InChIKeyHJYGQUXDUQYIMB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.04
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide

2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide (PubChem CID 116675705) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide
PubChem CID116675705
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NC(N)=O)c1)=C1CNC1
InChIInChI=1S/C13H16N4O2/c1-8(9-6-15-7-9)12(18)16-10-3-2-4-11(5-10)17-13(14)19/h2-5,15H,6-7H2,1H3,(H,16,18)(H3,14,17,19)
InChIKeyHJYGQUXDUQYIMB-UHFFFAOYSA-N
XLogP1.04
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.04
H-Bond Donors ≤ 54
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-(3-methylphenyl)propanamide
CID 116674576
5-[2-(azetidin-3-ylidene)propanoylamino]benzene-1,3-dicarboxamide
CID 116677173
2-(azetidin-3-ylidene)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675511
2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide
CID 116675974
[3-(methylamino)phenyl]urea
CID 23558981
N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide
CID 116675089
[3-(chloroamino)phenyl]urea
CID 155328094
[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea
CID 57193748
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide (CID 116675705) is 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide is CC(C(=O)Nc1cccc(NC(N)=O)c1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide?
The InChIKey is HJYGQUXDUQYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(9-6-15-7-9)12(18)16-10-3-2-4-11(5-10)17-13(14)19/h2-5,15H,6-7H2,1H3,(H,16,18)(H3,14,17,19).
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide?
2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide is sourced from PubChem (CID 116675705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).