N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide

C27H29NO — CID 175544554

IUPACN-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
SMILESC=CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H29NO/c1-5-24(21-15-9-6-10-16-21)27(26(2,3)4,23-19-13-8-14-20-23)28-25(29)22-17-11-7-12-18-22/h5-20,24H,1H2,2-4H3,(H,28,29)
InChIKeySGYKFYUSDXULMV-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.33
Rot. Bonds6

About N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide

N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide (PubChem CID 175544554) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
PubChem CID175544554
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC NameN-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
SMILESC=CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H29NO/c1-5-24(21-15-9-6-10-16-21)27(26(2,3)4,23-19-13-8-14-20-23)28-25(29)22-17-11-7-12-18-22/h5-20,24H,1H2,2-4H3,(H,28,29)
InChIKeySGYKFYUSDXULMV-UHFFFAOYSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
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-(1,1,2-triphenylbut-3-enyl)benzamide
CID 175544491
methyl (2R,3S)-2-benzamido-2-(methylsulfanylmethyl)-3-phenylpent-4-enoate
CID 138969760
(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
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
CID 101185727
(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
CID 132538281

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide?
The IUPAC name of N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide (CID 175544554) is N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide is C=CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide?
The InChIKey is SGYKFYUSDXULMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-5-24(21-15-9-6-10-16-21)27(26(2,3)4,23-19-13-8-14-20-23)28-25(29)22-17-11-7-12-18-22/h5-20,24H,1H2,2-4H3,(H,28,29).
What are the key properties of N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide?
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide has a molecular weight of 383.54 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide is sourced from PubChem (CID 175544554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).