N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide

C22H29NO — CID 19221408

IUPACN-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H29NO/c1-5-18-8-7-9-19(6-2)22(18)23-21(24)15-12-17-10-13-20(14-11-17)16(3)4/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,23,24)
InChIKeyPYCOXLMSSBUZIG-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.51
Rot. Bonds7

About N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide

N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 19221408) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
PubChem CID19221408
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H29NO/c1-5-18-8-7-9-19(6-2)22(18)23-21(24)15-12-17-10-13-20(14-11-17)16(3)4/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,23,24)
InChIKeyPYCOXLMSSBUZIG-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-(2-bromo-4-ethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53268011
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
4-cyano-N-(2,6-diethylphenyl)pentanamide
CID 112516692
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide (CID 19221408) is N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PYCOXLMSSBUZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-5-18-8-7-9-19(6-2)22(18)23-21(24)15-12-17-10-13-20(14-11-17)16(3)4/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,23,24).
What are the key properties of N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 323.48 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 19221408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).