N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide

C30H43NO — CID 91135398

IUPACN-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide
SMILESCCCC(C)=C(NC(=O)c1ccccc1C)c1c(C)c(C)c(C(CC)CC)c(CC)c1C
InChIInChI=1S/C30H43NO/c1-10-16-20(6)29(31-30(32)26-18-15-14-17-19(26)5)27-21(7)22(8)28(24(11-2)12-3)25(13-4)23(27)9/h14-15,17-18,24H,10-13,16H2,1-9H3,(H,31,32)
InChIKeySIVKOUFSFBLCCA-UHFFFAOYSA-N
MW433.68 g/mol
LogP8.35
Rot. Bonds9

About N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide

N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide (PubChem CID 91135398) has the molecular formula C30H43NO and a molecular weight of 433.68 g/mol. Its IUPAC name is N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide
PubChem CID91135398
Molecular FormulaC30H43NO
Molecular Weight433.68 g/mol
Exact Mass433.33
IUPAC NameN-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide
SMILESCCCC(C)=C(NC(=O)c1ccccc1C)c1c(C)c(C)c(C(CC)CC)c(CC)c1C
InChIInChI=1S/C30H43NO/c1-10-16-20(6)29(31-30(32)26-18-15-14-17-19(26)5)27-21(7)22(8)28(24(11-2)12-3)25(13-4)23(27)9/h14-15,17-18,24H,10-13,16H2,1-9H3,(H,31,32)
InChIKeySIVKOUFSFBLCCA-UHFFFAOYSA-N
XLogP8.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide (CID 91135398) is N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide is CCCC(C)=C(NC(=O)c1ccccc1C)c1c(C)c(C)c(C(CC)CC)c(CC)c1C.
What is the InChIKey of N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide?
The InChIKey is SIVKOUFSFBLCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO/c1-10-16-20(6)29(31-30(32)26-18-15-14-17-19(26)5)27-21(7)22(8)28(24(11-2)12-3)25(13-4)23(27)9/h14-15,17-18,24H,10-13,16H2,1-9H3,(H,31,32).
What are the key properties of N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide?
N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide has a molecular weight of 433.68 g/mol, XLogP of 8.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-2,5,6-trimethyl-4-pentan-3-ylphenyl)-2-methylpent-1-enyl]-2-methylbenzamide is sourced from PubChem (CID 91135398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).