N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide

C22H28N2O2 — CID 108947354

IUPACN'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-5-24(16-17-9-7-6-8-10-17)21(26)15-20(25)23-19-13-11-18(12-14-19)22(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,23,25)
InChIKeyLHVMJPFMSPCSSA-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.36
Rot. Bonds6

About N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide

N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide (PubChem CID 108947354) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
PubChem CID108947354
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-5-24(16-17-9-7-6-8-10-17)21(26)15-20(25)23-19-13-11-18(12-14-19)22(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,23,25)
InChIKeyLHVMJPFMSPCSSA-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide?
The IUPAC name of N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide (CID 108947354) is N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide?
The canonical SMILES for N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide?
The InChIKey is LHVMJPFMSPCSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-24(16-17-9-7-6-8-10-17)21(26)15-20(25)23-19-13-11-18(12-14-19)22(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,23,25).
What are the key properties of N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide?
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide is sourced from PubChem (CID 108947354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).