(E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide

C28H35NO — CID 46935209

IUPAC(E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C28H35NO/c1-21(2)19-29(20-22(3)4)28(30)17-16-25-15-14-24-12-8-9-13-26(24)27(25)18-23-10-6-5-7-11-23/h5-13,16-17,21-22H,14-15,18-20H2,1-4H3/b17-16+
InChIKeyDJRLRMLPXUEQRS-WUKNDPDISA-N
MW401.59 g/mol
LogP6.33
Rot. Bonds8

About (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide

(E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide (PubChem CID 46935209) has the molecular formula C28H35NO and a molecular weight of 401.59 g/mol. Its IUPAC name is (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
PubChem CID46935209
Molecular FormulaC28H35NO
Molecular Weight401.59 g/mol
Exact Mass401.27
IUPAC Name(E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C28H35NO/c1-21(2)19-29(20-22(3)4)28(30)17-16-25-15-14-24-12-8-9-13-26(24)27(25)18-23-10-6-5-7-11-23/h5-13,16-17,21-22H,14-15,18-20H2,1-4H3/b17-16+
InChIKeyDJRLRMLPXUEQRS-WUKNDPDISA-N
XLogP6.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide (CID 46935209) is (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide is CC(C)CN(CC(C)C)C(=O)/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1.
What is the InChIKey of (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The InChIKey is DJRLRMLPXUEQRS-WUKNDPDISA-N. The full InChI is InChI=1S/C28H35NO/c1-21(2)19-29(20-22(3)4)28(30)17-16-25-15-14-24-12-8-9-13-26(24)27(25)18-23-10-6-5-7-11-23/h5-13,16-17,21-22H,14-15,18-20H2,1-4H3/b17-16+.
What are the key properties of (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
(E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide has a molecular weight of 401.59 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyl-3,4-dihydronaphthalen-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 46935209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).