2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide

C20H29N3O4 — CID 108960131

IUPAC2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCC1CCCO1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H29N3O4/c1-20(2,18(24)21-14-15-6-5-11-27-15)19(25)22-16-7-3-4-8-17(16)23-9-12-26-13-10-23/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPKRFPHZERXGXMC-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.78
Rot. Bonds6

About 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide

2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108960131) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
PubChem CID108960131
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCC1CCCO1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H29N3O4/c1-20(2,18(24)21-14-15-6-5-11-27-15)19(25)22-16-7-3-4-8-17(16)23-9-12-26-13-10-23/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPKRFPHZERXGXMC-UHFFFAOYSA-N
XLogP1.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108960081
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108966794
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182780
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000271
N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
CID 108968361
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108969937
methyl 4-[[2,2-dimethyl-3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108960123
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960126
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide (CID 108960131) is 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide is CC(C)(C(=O)NCC1CCCO1)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is PKRFPHZERXGXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,18(24)21-14-15-6-5-11-27-15)19(25)22-16-7-3-4-8-17(16)23-9-12-26-13-10-23/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide?
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 375.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108960131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).