3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide

C15H31N5O2 — CID 111187811

IUPAC3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
SMILESCCN/C(=N\CCN1CCOCC1)NCCC(=O)NC(C)C
InChIInChI=1S/C15H31N5O2/c1-4-16-15(17-6-5-14(21)19-13(2)3)18-7-8-20-9-11-22-12-10-20/h13H,4-12H2,1-3H3,(H,19,21)(H2,16,17,18)
InChIKeyLAANGEHROWNAQC-UHFFFAOYSA-N
MW313.45 g/mol
LogP-0.21
Rot. Bonds8

About 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide

3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 111187811) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
PubChem CID111187811
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
SMILESCCN/C(=N\CCN1CCOCC1)NCCC(=O)NC(C)C
InChIInChI=1S/C15H31N5O2/c1-4-16-15(17-6-5-14(21)19-13(2)3)18-7-8-20-9-11-22-12-10-20/h13H,4-12H2,1-3H3,(H,19,21)(H2,16,17,18)
InChIKeyLAANGEHROWNAQC-UHFFFAOYSA-N
XLogP-0.21
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide 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-butan-2-yl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 111187571
N-cyclohexyl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111188772
3-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111374280
3-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111374281
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111187173
1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-morpholin-4-ylethyl)guanidine
CID 111188233
3-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111324711
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188316
N-butan-2-yl-3-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111936282
3-[[N-ethyl-N'-(2-methylsulfanylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111344168
1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine
CID 136924073
1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188128

Frequently Asked Questions

What is the IUPAC name of 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide (CID 111187811) is 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide is CCN/C(=N\CCN1CCOCC1)NCCC(=O)NC(C)C.
What is the InChIKey of 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is LAANGEHROWNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-4-16-15(17-6-5-14(21)19-13(2)3)18-7-8-20-9-11-22-12-10-20/h13H,4-12H2,1-3H3,(H,19,21)(H2,16,17,18).
What are the key properties of 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide?
3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 313.45 g/mol, XLogP of -0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 111187811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).