N-[4-(carbamoylamino)phenyl]but-2-enamide

C11H13N3O2 — CID 78997401

IUPACN-[4-(carbamoylamino)phenyl]but-2-enamide
SMILESCC=CC(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H13N3O2/c1-2-3-10(15)13-8-4-6-9(7-5-8)14-11(12)16/h2-7H,1H3,(H,13,15)(H3,12,14,16)
InChIKeyMDGCBQSLMOQSMB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.69
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]but-2-enamide

N-[4-(carbamoylamino)phenyl]but-2-enamide (PubChem CID 78997401) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]but-2-enamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]but-2-enamide
PubChem CID78997401
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[4-(carbamoylamino)phenyl]but-2-enamide
SMILESCC=CC(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H13N3O2/c1-2-3-10(15)13-8-4-6-9(7-5-8)14-11(12)16/h2-7H,1H3,(H,13,15)(H3,12,14,16)
InChIKeyMDGCBQSLMOQSMB-UHFFFAOYSA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-phenylbut-2-enamide
CID 59909226
(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
CID 145382595
5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
CID 110470241
N-(3-amino-4-fluorophenyl)but-2-enamide
CID 76991046
4-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557826
butyl 4-[[(Z)-but-2-enoyl]amino]benzoate
CID 97305674
N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
N'-(4-hydroxyphenyl)but-2-enediamide
CID 54373747
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
(4-bromophenyl)urea
CID 16074

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]but-2-enamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]but-2-enamide (CID 78997401) is N-[4-(carbamoylamino)phenyl]but-2-enamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]but-2-enamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]but-2-enamide is CC=CC(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]but-2-enamide?
The InChIKey is MDGCBQSLMOQSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-10(15)13-8-4-6-9(7-5-8)14-11(12)16/h2-7H,1H3,(H,13,15)(H3,12,14,16).
What are the key properties of N-[4-(carbamoylamino)phenyl]but-2-enamide?
N-[4-(carbamoylamino)phenyl]but-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]but-2-enamide is sourced from PubChem (CID 78997401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).