N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide

C21H22N2O2 — CID 761936

IUPACN-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1NC(=O)c1ccccc1C
InChIInChI=1S/C21H22N2O2/c1-4-14-23(15-5-2)21(25)18-12-8-9-13-19(18)22-20(24)17-11-7-6-10-16(17)3/h4-13H,1-2,14-15H2,3H3,(H,22,24)
InChIKeyXTHXZTWHKRYFCV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.06
Rot. Bonds7

About N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide

N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 761936) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide
PubChem CID761936
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1NC(=O)c1ccccc1C
InChIInChI=1S/C21H22N2O2/c1-4-14-23(15-5-2)21(25)18-12-8-9-13-19(18)22-20(24)17-11-7-6-10-16(17)3/h4-13H,1-2,14-15H2,3H3,(H,22,24)
InChIKeyXTHXZTWHKRYFCV-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide (CID 761936) is N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide is C=CCN(CC=C)C(=O)c1ccccc1NC(=O)c1ccccc1C.
What is the InChIKey of N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is XTHXZTWHKRYFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-14-23(15-5-2)21(25)18-12-8-9-13-19(18)22-20(24)17-11-7-6-10-16(17)3/h4-13H,1-2,14-15H2,3H3,(H,22,24).
What are the key properties of N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide?
N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(prop-2-enyl)carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 761936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).