N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide

C22H28N2O3 — CID 108954645

IUPACN'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)27-17-12-10-16(11-13-17)23-20(25)14-21(26)24-19-9-7-6-8-18(19)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyVWFPJWVJFVJGBO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.74
Rot. Bonds6

About N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide

N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108954645) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108954645
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)27-17-12-10-16(11-13-17)23-20(25)14-21(26)24-19-9-7-6-8-18(19)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyVWFPJWVJFVJGBO-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108946631
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide (CID 108954645) is N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccc(NC(=O)CC(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is VWFPJWVJFVJGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)27-17-12-10-16(11-13-17)23-20(25)14-21(26)24-19-9-7-6-8-18(19)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 368.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108954645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).