N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide

C17H25N3O3 — CID 108944050

IUPACN'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
SMILESCCN(C(=O)CC(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H25N3O3/c1-2-20(15-6-4-3-5-7-15)17(22)14-16(21)18-8-9-19-10-12-23-13-11-19/h3-7H,2,8-14H2,1H3,(H,18,21)
InChIKeyBUENOENCPAFJDP-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.88
Rot. Bonds7

About N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide

N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide (PubChem CID 108944050) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
PubChem CID108944050
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
SMILESCCN(C(=O)CC(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H25N3O3/c1-2-20(15-6-4-3-5-7-15)17(22)14-16(21)18-8-9-19-10-12-23-13-11-19/h3-7H,2,8-14H2,1H3,(H,18,21)
InChIKeyBUENOENCPAFJDP-UHFFFAOYSA-N
XLogP0.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109325248
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5173804
2-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994999
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
6-(N-ethylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115714
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide?
The IUPAC name of N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide (CID 108944050) is N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide.
What is the SMILES notation for N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide?
The canonical SMILES for N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide is CCN(C(=O)CC(=O)NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide?
The InChIKey is BUENOENCPAFJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-20(15-6-4-3-5-7-15)17(22)14-16(21)18-8-9-19-10-12-23-13-11-19/h3-7H,2,8-14H2,1H3,(H,18,21).
What are the key properties of N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide?
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide has a molecular weight of 319.40 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide is sourced from PubChem (CID 108944050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).