N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide

C20H24N2O3 — CID 108951508

IUPACN'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(C)(C)NC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)22-19(24)13-18(23)21-16-9-11-17(12-10-16)25-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNPNUXZANBQBMFS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.51
Rot. Bonds6

About N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide

N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide (PubChem CID 108951508) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
PubChem CID108951508
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(C)(C)NC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)22-19(24)13-18(23)21-16-9-11-17(12-10-16)25-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNPNUXZANBQBMFS-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.51
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

methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide?
The IUPAC name of N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide (CID 108951508) is N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide.
What is the SMILES notation for N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide?
The canonical SMILES for N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide is CC(C)(C)NC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide?
The InChIKey is NPNUXZANBQBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)22-19(24)13-18(23)21-16-9-11-17(12-10-16)25-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide?
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide has a molecular weight of 340.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide is sourced from PubChem (CID 108951508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).