N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide

C26H21NO2 — CID 3931062

IUPACN-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C26H21NO2/c28-24(16-14-21-9-5-17-29-21)27-26(20-6-2-1-3-7-20)23-15-13-19-12-11-18-8-4-10-22(23)25(18)19/h1-10,13-17,26H,11-12H2,(H,27,28)
InChIKeyDPJOSLIUBBNYMU-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.45
Rot. Bonds5

About N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide

N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 3931062) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID3931062
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC NameN-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C26H21NO2/c28-24(16-14-21-9-5-17-29-21)27-26(20-6-2-1-3-7-20)23-15-13-19-12-11-18-8-4-10-22(23)25(18)19/h1-10,13-17,26H,11-12H2,(H,27,28)
InChIKeyDPJOSLIUBBNYMU-UHFFFAOYSA-N
XLogP5.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)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

N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
2-cyclopropyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
CID 55108577
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 124760047
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287

Frequently Asked Questions

What is the IUPAC name of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide (CID 3931062) is N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NC(c1ccccc1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is DPJOSLIUBBNYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c28-24(16-14-21-9-5-17-29-21)27-26(20-6-2-1-3-7-20)23-15-13-19-12-11-18-8-4-10-22(23)25(18)19/h1-10,13-17,26H,11-12H2,(H,27,28).
What are the key properties of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 379.46 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 3931062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).