N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide

C25H34N2O2 — CID 11223159

IUPACN'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C25H34N2O2/c1-17(2)21-13-10-14-22(18(3)4)25(21)26-23(28)15-24(29)27(19(5)6)16-20-11-8-7-9-12-20/h7-14,17-19H,15-16H2,1-6H3,(H,26,28)
InChIKeyCTDMQCLIOMYESB-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.70
Rot. Bonds8

About N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide

N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide (PubChem CID 11223159) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
PubChem CID11223159
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C25H34N2O2/c1-17(2)21-13-10-14-22(18(3)4)25(21)26-23(28)15-24(29)27(19(5)6)16-20-11-8-7-9-12-20/h7-14,17-19H,15-16H2,1-6H3,(H,26,28)
InChIKeyCTDMQCLIOMYESB-UHFFFAOYSA-N
XLogP5.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.70
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'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792
N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide
CID 108951694
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
methyl 2-[[3-[benzyl(propan-2-yl)amino]-3-oxopropanoyl]amino]benzoate
CID 108951728
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide?
The IUPAC name of N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide (CID 11223159) is N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide?
The canonical SMILES for N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide is CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide?
The InChIKey is CTDMQCLIOMYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-17(2)21-13-10-14-22(18(3)4)25(21)26-23(28)15-24(29)27(19(5)6)16-20-11-8-7-9-12-20/h7-14,17-19H,15-16H2,1-6H3,(H,26,28).
What are the key properties of N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide?
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide has a molecular weight of 394.56 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 11223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).