3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide

C13H27N3O2 — CID 79165758

IUPAC3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1CN(CC)CCO1
InChIInChI=1S/C13H27N3O2/c1-3-6-15-13(17)5-7-14-10-12-11-16(4-2)8-9-18-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyMTFCLFZEPSIKOI-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds8

About 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide

3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide (PubChem CID 79165758) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
PubChem CID79165758
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1CN(CC)CCO1
InChIInChI=1S/C13H27N3O2/c1-3-6-15-13(17)5-7-14-10-12-11-16(4-2)8-9-18-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyMTFCLFZEPSIKOI-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide 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

2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
CID 155739567
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide (CID 79165758) is 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCC1CN(CC)CCO1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is MTFCLFZEPSIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-6-15-13(17)5-7-14-10-12-11-16(4-2)8-9-18-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide?
3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 79165758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).