N-prop-2-enyl-4-(propylcarbamoylamino)benzamide

C14H19N3O2 — CID 47265151

IUPACN-prop-2-enyl-4-(propylcarbamoylamino)benzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCCC)cc1
InChIInChI=1S/C14H19N3O2/c1-3-9-15-13(18)11-5-7-12(8-6-11)17-14(19)16-10-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H2,16,17,19)
InChIKeyRDTHRRIVRYZLJS-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.13
Rot. Bonds6

About N-prop-2-enyl-4-(propylcarbamoylamino)benzamide

N-prop-2-enyl-4-(propylcarbamoylamino)benzamide (PubChem CID 47265151) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-prop-2-enyl-4-(propylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(propylcarbamoylamino)benzamide
PubChem CID47265151
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC NameN-prop-2-enyl-4-(propylcarbamoylamino)benzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCCC)cc1
InChIInChI=1S/C14H19N3O2/c1-3-9-15-13(18)11-5-7-12(8-6-11)17-14(19)16-10-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H2,16,17,19)
InChIKeyRDTHRRIVRYZLJS-UHFFFAOYSA-N
XLogP2.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
CID 52667442
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 87010679
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
CID 61062671
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
CID 55156001
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
N-ethyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169590

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(propylcarbamoylamino)benzamide?
The IUPAC name of N-prop-2-enyl-4-(propylcarbamoylamino)benzamide (CID 47265151) is N-prop-2-enyl-4-(propylcarbamoylamino)benzamide.
What is the SMILES notation for N-prop-2-enyl-4-(propylcarbamoylamino)benzamide?
The canonical SMILES for N-prop-2-enyl-4-(propylcarbamoylamino)benzamide is C=CCNC(=O)c1ccc(NC(=O)NCCC)cc1.
What is the InChIKey of N-prop-2-enyl-4-(propylcarbamoylamino)benzamide?
The InChIKey is RDTHRRIVRYZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-9-15-13(18)11-5-7-12(8-6-11)17-14(19)16-10-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-prop-2-enyl-4-(propylcarbamoylamino)benzamide?
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide has a molecular weight of 261.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(propylcarbamoylamino)benzamide is sourced from PubChem (CID 47265151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).