N-[(dibenzylamino)methyl]prop-2-enamide

C18H20N2O — CID 68581396

IUPACN-[(dibenzylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-18(21)19-15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,19,21)
InChIKeySNVHDMFDFBMBGD-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.95
Rot. Bonds7

About N-[(dibenzylamino)methyl]prop-2-enamide

N-[(dibenzylamino)methyl]prop-2-enamide (PubChem CID 68581396) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(dibenzylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(dibenzylamino)methyl]prop-2-enamide
PubChem CID68581396
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(dibenzylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-18(21)19-15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,19,21)
InChIKeySNVHDMFDFBMBGD-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(dibenzylamino)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl(ethenyl)carbamic acid
CID 22377754
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide
CID 175300118
N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
CID 166259140
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
azane;3-(dibenzylamino)propanoic acid
CID 162310692
N-[(4-anilinophenyl)methyl]prop-2-enamide
CID 57298841
N-[(prop-2-enoylamino)methyl]benzamide
CID 46707282
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
N-benzyl-N-ethenylpropanamide
CID 11469541
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 174986700

Frequently Asked Questions

What is the IUPAC name of N-[(dibenzylamino)methyl]prop-2-enamide?
The IUPAC name of N-[(dibenzylamino)methyl]prop-2-enamide (CID 68581396) is N-[(dibenzylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-[(dibenzylamino)methyl]prop-2-enamide?
The canonical SMILES for N-[(dibenzylamino)methyl]prop-2-enamide is C=CC(=O)NCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[(dibenzylamino)methyl]prop-2-enamide?
The InChIKey is SNVHDMFDFBMBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-18(21)19-15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,19,21).
What are the key properties of N-[(dibenzylamino)methyl]prop-2-enamide?
N-[(dibenzylamino)methyl]prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dibenzylamino)methyl]prop-2-enamide is sourced from PubChem (CID 68581396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).