N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide

C23H29N3O3 — CID 108968361

IUPACN-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-4-26(18-10-6-5-7-11-18)22(28)23(2,3)21(27)24-19-12-8-9-13-20(19)25-14-16-29-17-15-25/h5-13H,4,14-17H2,1-3H3,(H,24,27)
InChIKeyJWRGJTOVJJLKFM-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide

N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide (PubChem CID 108968361) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
PubChem CID108968361
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-4-26(18-10-6-5-7-11-18)22(28)23(2,3)21(27)24-19-12-8-9-13-20(19)25-14-16-29-17-15-25/h5-13H,4,14-17H2,1-3H3,(H,24,27)
InChIKeyJWRGJTOVJJLKFM-UHFFFAOYSA-N
XLogP3.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108969937
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108966794
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108947398
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide (CID 108968361) is N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide?
The InChIKey is JWRGJTOVJJLKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-26(18-10-6-5-7-11-18)22(28)23(2,3)21(27)24-19-12-8-9-13-20(19)25-14-16-29-17-15-25/h5-13H,4,14-17H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide?
N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide has a molecular weight of 395.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide is sourced from PubChem (CID 108968361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).