N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide

C15H19N3O2 — CID 47150343

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)9-14(19)16-11-3-5-12(6-4-11)17-15(20)18-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyAZWONYVJEWXXCX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.88
Rot. Bonds4

About N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide (PubChem CID 47150343) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide
PubChem CID47150343
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)9-14(19)16-11-3-5-12(6-4-11)17-15(20)18-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyAZWONYVJEWXXCX-UHFFFAOYSA-N
XLogP2.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.88
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

3-methyl-N-[4-(methylcarbamoylamino)phenyl]but-2-enamide
CID 47144064
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
N-(4-acetamidophenyl)-2-(cyclopropylcarbamoylamino)acetamide
CID 112999758
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide (CID 47150343) is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide?
The InChIKey is AZWONYVJEWXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)9-14(19)16-11-3-5-12(6-4-11)17-15(20)18-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 47150343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).