N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide

C30H43NO — CID 155692285

IUPACN-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide
SMILESCCc1ccc(CC2CCCCCCCC2C(CC)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C30H43NO/c1-5-24-17-19-25(20-18-24)21-26-15-10-8-7-9-11-16-28(26)27(6-2)30(32)31-29-22(3)13-12-14-23(29)4/h12-14,17-20,26-28H,5-11,15-16,21H2,1-4H3,(H,31,32)
InChIKeyXRSHTPKLCJGSLS-UHFFFAOYSA-N
MW433.68 g/mol
LogP8.05
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide

N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide (PubChem CID 155692285) has the molecular formula C30H43NO and a molecular weight of 433.68 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide
PubChem CID155692285
Molecular FormulaC30H43NO
Molecular Weight433.68 g/mol
Exact Mass433.33
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide
SMILESCCc1ccc(CC2CCCCCCCC2C(CC)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C30H43NO/c1-5-24-17-19-25(20-18-24)21-26-15-10-8-7-9-11-16-28(26)27(6-2)30(32)31-29-22(3)13-12-14-23(29)4/h12-14,17-20,26-28H,5-11,15-16,21H2,1-4H3,(H,31,32)
InChIKeyXRSHTPKLCJGSLS-UHFFFAOYSA-N
XLogP8.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
CID 159859774
N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
CID 161486197
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
1-(4-benzylpiperidin-1-ium-1-yl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 4985975
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754
(2R)-N-(2,6-dimethylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]butanamide
CID 98305227
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)butanamide
CID 155615004

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide (CID 155692285) is N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide is CCc1ccc(CC2CCCCCCCC2C(CC)C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide?
The InChIKey is XRSHTPKLCJGSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO/c1-5-24-17-19-25(20-18-24)21-26-15-10-8-7-9-11-16-28(26)27(6-2)30(32)31-29-22(3)13-12-14-23(29)4/h12-14,17-20,26-28H,5-11,15-16,21H2,1-4H3,(H,31,32).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide?
N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide has a molecular weight of 433.68 g/mol, XLogP of 8.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide is sourced from PubChem (CID 155692285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).