2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

C22H27N3O2 — CID 108967489

IUPAC2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-6-8-17(9-7-16)23-20(26)22(2,3)21(27)24-18-10-12-19(13-11-18)25-14-4-5-15-25/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyYFWVHUHKPXFXHF-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.20
Rot. Bonds5

About 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (PubChem CID 108967489) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
PubChem CID108967489
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-6-8-17(9-7-16)23-20(26)22(2,3)21(27)24-18-10-12-19(13-11-18)25-14-4-5-15-25/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyYFWVHUHKPXFXHF-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115
2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62847063
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113198136
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108964695

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (CID 108967489) is 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The InChIKey is YFWVHUHKPXFXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-6-8-17(9-7-16)23-20(26)22(2,3)21(27)24-18-10-12-19(13-11-18)25-14-4-5-15-25/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide has a molecular weight of 365.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108967489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).