(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide

C31H29NO2 — CID 44526973

IUPAC(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NCC1(c2ccc(-c3ccccc3)cc2)CCOCC1
InChIInChI=1S/C31H29NO2/c33-30(17-11-24-10-12-26-8-4-5-9-28(26)22-24)32-23-31(18-20-34-21-19-31)29-15-13-27(14-16-29)25-6-2-1-3-7-25/h1-17,22H,18-21,23H2,(H,32,33)/b17-11+
InChIKeyQMRDWHKJJGTZFX-GZTJUZNOSA-N
MW447.58 g/mol
LogP6.38
Rot. Bonds6

About (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide

(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide (PubChem CID 44526973) has the molecular formula C31H29NO2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide
PubChem CID44526973
Molecular FormulaC31H29NO2
Molecular Weight447.58 g/mol
Exact Mass447.22
IUPAC Name(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NCC1(c2ccc(-c3ccccc3)cc2)CCOCC1
InChIInChI=1S/C31H29NO2/c33-30(17-11-24-10-12-26-8-4-5-9-28(26)22-24)32-23-31(18-20-34-21-19-31)29-15-13-27(14-16-29)25-6-2-1-3-7-25/h1-17,22H,18-21,23H2,(H,32,33)/b17-11+
InChIKeyQMRDWHKJJGTZFX-GZTJUZNOSA-N
XLogP6.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]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

3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)cinnamamide
CID 846516
2-(naphthalen-1-yl)-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 1082217
3-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
CID 1212751
N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)-1-naphthamide
CID 27450154
N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)-2-(naphthalen-1-yl)acetamide
CID 27450156
N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)-2-naphthamide
CID 27450169
N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)cinnamamide
CID 49753292
3-(2,4-dimethylphenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]prop-2-enamide
CID 56035764
3-(2,4-dimethylphenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]prop-2-enamide
CID 56036515
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56043096
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 60571941

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide (CID 44526973) is (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)NCC1(c2ccc(-c3ccccc3)cc2)CCOCC1.
What is the InChIKey of (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide?
The InChIKey is QMRDWHKJJGTZFX-GZTJUZNOSA-N. The full InChI is InChI=1S/C31H29NO2/c33-30(17-11-24-10-12-26-8-4-5-9-28(26)22-24)32-23-31(18-20-34-21-19-31)29-15-13-27(14-16-29)25-6-2-1-3-7-25/h1-17,22H,18-21,23H2,(H,32,33)/b17-11+.
What are the key properties of (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide?
(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide has a molecular weight of 447.58 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 44526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).