N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide

C25H24N2O3 — CID 17233523

IUPACN-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-30-23-15-7-20(8-16-23)10-18-25(29)27-22-13-11-21(12-14-22)26-24(28)17-9-19-5-3-2-4-6-19/h2-8,10-16,18H,9,17H2,1H3,(H,26,28)(H,27,29)/b18-10+
InChIKeySLGUPULNJPTFAR-VCHYOVAHSA-N
MW400.48 g/mol
LogP4.92
Rot. Bonds8

About N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 17233523) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
PubChem CID17233523
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-30-23-15-7-20(8-16-23)10-18-25(29)27-22-13-11-21(12-14-22)26-24(28)17-9-19-5-3-2-4-6-19/h2-8,10-16,18H,9,17H2,1H3,(H,26,28)(H,27,29)/b18-10+
InChIKeySLGUPULNJPTFAR-VCHYOVAHSA-N
XLogP4.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide 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

N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenylpropanamide
CID 17233696
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
(E)-3-[4-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 45387481
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
ethyl (E)-3-[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]prop-2-enoate
CID 34481370
4-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233680
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide (CID 17233523) is N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide is COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is SLGUPULNJPTFAR-VCHYOVAHSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-30-23-15-7-20(8-16-23)10-18-25(29)27-22-13-11-21(12-14-22)26-24(28)17-9-19-5-3-2-4-6-19/h2-8,10-16,18H,9,17H2,1H3,(H,26,28)(H,27,29)/b18-10+.
What are the key properties of N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 400.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 17233523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).