N-(1,1,2-triphenylbut-3-enyl)benzamide

C29H25NO — CID 175544491

IUPACN-(1,1,2-triphenylbut-3-enyl)benzamide
SMILESC=CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO/c1-2-27(23-15-7-3-8-16-23)29(25-19-11-5-12-20-25,26-21-13-6-14-22-26)30-28(31)24-17-9-4-10-18-24/h2-22,27H,1H2,(H,30,31)
InChIKeyNIVJEPJSJOORGG-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.33
Rot. Bonds7

About N-(1,1,2-triphenylbut-3-enyl)benzamide

N-(1,1,2-triphenylbut-3-enyl)benzamide (PubChem CID 175544491) has the molecular formula C29H25NO and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(1,1,2-triphenylbut-3-enyl)benzamide.

Molecular Properties

Compound NameN-(1,1,2-triphenylbut-3-enyl)benzamide
PubChem CID175544491
Molecular FormulaC29H25NO
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC NameN-(1,1,2-triphenylbut-3-enyl)benzamide
SMILESC=CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO/c1-2-27(23-15-7-3-8-16-23)29(25-19-11-5-12-20-25,26-21-13-6-14-22-26)30-28(31)24-17-9-4-10-18-24/h2-22,27H,1H2,(H,30,31)
InChIKeyNIVJEPJSJOORGG-UHFFFAOYSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
CID 175544554
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
methyl (2R,3S)-2-benzamido-2-(methylsulfanylmethyl)-3-phenylpent-4-enoate
CID 138969760
N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 140515174
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
CID 132538281
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid
CID 57143055

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2-triphenylbut-3-enyl)benzamide?
The IUPAC name of N-(1,1,2-triphenylbut-3-enyl)benzamide (CID 175544491) is N-(1,1,2-triphenylbut-3-enyl)benzamide.
What is the SMILES notation for N-(1,1,2-triphenylbut-3-enyl)benzamide?
The canonical SMILES for N-(1,1,2-triphenylbut-3-enyl)benzamide is C=CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1,2-triphenylbut-3-enyl)benzamide?
The InChIKey is NIVJEPJSJOORGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO/c1-2-27(23-15-7-3-8-16-23)29(25-19-11-5-12-20-25,26-21-13-6-14-22-26)30-28(31)24-17-9-4-10-18-24/h2-22,27H,1H2,(H,30,31).
What are the key properties of N-(1,1,2-triphenylbut-3-enyl)benzamide?
N-(1,1,2-triphenylbut-3-enyl)benzamide has a molecular weight of 403.53 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2-triphenylbut-3-enyl)benzamide is sourced from PubChem (CID 175544491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).