N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide

C22H29N3O3 — CID 108969587

IUPACN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)28-19-10-8-7-9-18(19)24-21(27)22(3,4)20(26)23-16-11-13-17(14-12-16)25(5)6/h7-15H,1-6H3,(H,23,26)(H,24,27)
InChIKeyGRNBRPRCRLUAOK-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.14
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide

N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108969587) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108969587
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)28-19-10-8-7-9-18(19)24-21(27)22(3,4)20(26)23-16-11-13-17(14-12-16)25(5)6/h7-15H,1-6H3,(H,23,26)(H,24,27)
InChIKeyGRNBRPRCRLUAOK-UHFFFAOYSA-N
XLogP4.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
1-N-[4-(dimethylamino)phenyl]-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983242
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969471
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108969587) is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is GRNBRPRCRLUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)28-19-10-8-7-9-18(19)24-21(27)22(3,4)20(26)23-16-11-13-17(14-12-16)25(5)6/h7-15H,1-6H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 383.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108969587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).