(Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide

C9H17N3O2 — CID 154573970

IUPAC(Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide
SMILESCCN(CC)C(=O)/C=C(/C)NC(N)=O
InChIInChI=1S/C9H17N3O2/c1-4-12(5-2)8(13)6-7(3)11-9(10)14/h6H,4-5H2,1-3H3,(H3,10,11,14)/b7-6-
InChIKeyIFPSUNIYJJIFTG-SREVYHEPSA-N
MW199.25 g/mol
LogP0.43
Rot. Bonds4

About (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide

(Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide (PubChem CID 154573970) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide
PubChem CID154573970
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide
SMILESCCN(CC)C(=O)/C=C(/C)NC(N)=O
InChIInChI=1S/C9H17N3O2/c1-4-12(5-2)8(13)6-7(3)11-9(10)14/h6H,4-5H2,1-3H3,(H3,10,11,14)/b7-6-
InChIKeyIFPSUNIYJJIFTG-SREVYHEPSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide?
The IUPAC name of (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide (CID 154573970) is (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide.
What is the SMILES notation for (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide?
The canonical SMILES for (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide is CCN(CC)C(=O)/C=C(/C)NC(N)=O.
What is the InChIKey of (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide?
The InChIKey is IFPSUNIYJJIFTG-SREVYHEPSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-12(5-2)8(13)6-7(3)11-9(10)14/h6H,4-5H2,1-3H3,(H3,10,11,14)/b7-6-.
What are the key properties of (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide?
(Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(carbamoylamino)-N,N-diethylbut-2-enamide is sourced from PubChem (CID 154573970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).