N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide

C31H35NO — CID 90348625

IUPACN-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
SMILESC=C(c1ccc(C(=O)Nc2cccc(C)c2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H35NO/c1-20-9-8-10-25(17-20)32-29(33)24-13-11-23(12-14-24)22(3)26-19-28-27(18-21(26)2)30(4,5)15-16-31(28,6)7/h8-14,17-19H,3,15-16H2,1-2,4-7H3,(H,32,33)
InChIKeyZMJMNCVNUXNVJA-UHFFFAOYSA-N
MW437.63 g/mol
LogP7.97
Rot. Bonds4

About N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide

N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide (PubChem CID 90348625) has the molecular formula C31H35NO and a molecular weight of 437.63 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
PubChem CID90348625
Molecular FormulaC31H35NO
Molecular Weight437.63 g/mol
Exact Mass437.27
IUPAC NameN-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
SMILESC=C(c1ccc(C(=O)Nc2cccc(C)c2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H35NO/c1-20-9-8-10-25(17-20)32-29(33)24-13-11-23(12-14-24)22(3)26-19-28-27(18-21(26)2)30(4,5)15-16-31(28,6)7/h8-14,17-19H,3,15-16H2,1-2,4-7H3,(H,32,33)
InChIKeyZMJMNCVNUXNVJA-UHFFFAOYSA-N
XLogP7.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-ethylethanamine;2-ethyl-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
CID 175159215
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?
The IUPAC name of N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide (CID 90348625) is N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide is C=C(c1ccc(C(=O)Nc2cccc(C)c2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?
The InChIKey is ZMJMNCVNUXNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO/c1-20-9-8-10-25(17-20)32-29(33)24-13-11-23(12-14-24)22(3)26-19-28-27(18-21(26)2)30(4,5)15-16-31(28,6)7/h8-14,17-19H,3,15-16H2,1-2,4-7H3,(H,32,33).
What are the key properties of N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?
N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide has a molecular weight of 437.63 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide is sourced from PubChem (CID 90348625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).