4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide

C20H22N2O — CID 78821935

IUPAC4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
SMILESC=CCN(CC=C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H22N2O/c1-3-14-22(15-4-2)16-17-10-12-18(13-11-17)20(23)21-19-8-6-5-7-9-19/h3-13H,1-2,14-16H2,(H,21,23)
InChIKeyDRBPWZXRCHCYGD-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.11
Rot. Bonds8

About 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide

4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide (PubChem CID 78821935) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
PubChem CID78821935
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
SMILESC=CCN(CC=C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H22N2O/c1-3-14-22(15-4-2)16-17-10-12-18(13-11-17)20(23)21-19-8-6-5-7-9-19/h3-13H,1-2,14-16H2,(H,21,23)
InChIKeyDRBPWZXRCHCYGD-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-prop-2-enylphenyl)benzamide
CID 67934091
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
CID 171441081
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
CID 177476151

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide (CID 78821935) is 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide is C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide?
The InChIKey is DRBPWZXRCHCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-14-22(15-4-2)16-17-10-12-18(13-11-17)20(23)21-19-8-6-5-7-9-19/h3-13H,1-2,14-16H2,(H,21,23).
What are the key properties of 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide?
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 78821935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).