N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide

C29H29NO3 — CID 4831195

IUPACN-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C=CC(=O)c3ccc(C4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C29H29NO3/c1-33-27-17-15-25(16-18-27)29(32)30-26-9-5-6-21(20-26)10-19-28(31)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h5-6,9-20,22H,2-4,7-8H2,1H3,(H,30,32)
InChIKeyXTFSPLAWAJLSRN-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.89
Rot. Bonds7

About N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide

N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide (PubChem CID 4831195) has the molecular formula C29H29NO3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
PubChem CID4831195
Molecular FormulaC29H29NO3
Molecular Weight439.56 g/mol
Exact Mass439.21
IUPAC NameN-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C=CC(=O)c3ccc(C4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C29H29NO3/c1-33-27-17-15-25(16-18-27)29(32)30-26-9-5-6-21(20-26)10-19-28(31)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h5-6,9-20,22H,2-4,7-8H2,1H3,(H,30,32)
InChIKeyXTFSPLAWAJLSRN-UHFFFAOYSA-N
XLogP6.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid
CID 143736672
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
(E)-3-(3-chloro-4-methoxyphenyl)-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 6054637
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] cyclopropanecarboxylate
CID 3629356
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332
3-[[4-(4-cyclohexylanilino)benzoyl]amino]benzoic acid
CID 155133623
(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
CID 23508869
2,2,2-trifluoro-N-[3-[(Z)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 97433492
2,2,2-trifluoro-N-[3-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 47046301

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide (CID 4831195) is N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(C=CC(=O)c3ccc(C4CCCCC4)cc3)c2)cc1.
What is the InChIKey of N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide?
The InChIKey is XTFSPLAWAJLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3/c1-33-27-17-15-25(16-18-27)29(32)30-26-9-5-6-21(20-26)10-19-28(31)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h5-6,9-20,22H,2-4,7-8H2,1H3,(H,30,32).
What are the key properties of N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide?
N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide has a molecular weight of 439.56 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 4831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).