N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide

C15H31N5O2 — CID 75532926

IUPACN,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
SMILESCCN(CC)C(=O)CCN/C(=N\C)NCCN1CCOCC1
InChIInChI=1S/C15H31N5O2/c1-4-20(5-2)14(21)6-7-17-15(16-3)18-8-9-19-10-12-22-13-11-19/h4-13H2,1-3H3,(H2,16,17,18)
InChIKeyOEIBXLVWURPHQQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP-0.26
Rot. Bonds8

About N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide

N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide (PubChem CID 75532926) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
PubChem CID75532926
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC NameN,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
SMILESCCN(CC)C(=O)CCN/C(=N\C)NCCN1CCOCC1
InChIInChI=1S/C15H31N5O2/c1-4-20(5-2)14(21)6-7-17-15(16-3)18-8-9-19-10-12-22-13-11-19/h4-13H2,1-3H3,(H2,16,17,18)
InChIKeyOEIBXLVWURPHQQ-UHFFFAOYSA-N
XLogP-0.26
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-morpholin-4-ylpropanamide
CID 102409015
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111600549
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517535
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111023845
2-methyl-1-(4-morpholin-4-ylbutyl)-3-propylguanidine
CID 111227293
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111035845
2-(diethylcarbamoylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285196
N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide
CID 111416899
N,N-dimethyl-1-[[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570390
3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074265

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide (CID 75532926) is N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide is CCN(CC)C(=O)CCN/C(=N\C)NCCN1CCOCC1.
What is the InChIKey of N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide?
The InChIKey is OEIBXLVWURPHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-4-20(5-2)14(21)6-7-17-15(16-3)18-8-9-19-10-12-22-13-11-19/h4-13H2,1-3H3,(H2,16,17,18).
What are the key properties of N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide?
N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide has a molecular weight of 313.45 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 75532926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).