2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide

C13H28N4O3 — CID 163605177

IUPAC2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide
SMILESCCC(CCCNC(N)=NCOCCCOC)C(N)=O
InChIInChI=1S/C13H28N4O3/c1-3-11(12(14)18)6-4-7-16-13(15)17-10-20-9-5-8-19-2/h11H,3-10H2,1-2H3,(H2,14,18)(H3,15,16,17)
InChIKeyPMIWWDLXQSZOJA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.19
Rot. Bonds12

About 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide

2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide (PubChem CID 163605177) has the molecular formula C13H28N4O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide.

Molecular Properties

Compound Name2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide
PubChem CID163605177
Molecular FormulaC13H28N4O3
Molecular Weight288.39 g/mol
Exact Mass288.22
IUPAC Name2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide
SMILESCCC(CCCNC(N)=NCOCCCOC)C(N)=O
InChIInChI=1S/C13H28N4O3/c1-3-11(12(14)18)6-4-7-16-13(15)17-10-20-9-5-8-19-2/h11H,3-10H2,1-2H3,(H2,14,18)(H3,15,16,17)
InChIKeyPMIWWDLXQSZOJA-UHFFFAOYSA-N
XLogP0.19
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxypropylamino)methyl]butanamide
CID 71433398
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037014
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037013
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
butyl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 72796651
2-ethyl-5-hydroxypentanamide
CID 21402948
3-methoxypropylurea
CID 2064040
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
CID 103178431
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110925196

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide?
The IUPAC name of 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide (CID 163605177) is 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide.
What is the SMILES notation for 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide?
The canonical SMILES for 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide is CCC(CCCNC(N)=NCOCCCOC)C(N)=O.
What is the InChIKey of 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide?
The InChIKey is PMIWWDLXQSZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3/c1-3-11(12(14)18)6-4-7-16-13(15)17-10-20-9-5-8-19-2/h11H,3-10H2,1-2H3,(H2,14,18)(H3,15,16,17).
What are the key properties of 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide?
2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide has a molecular weight of 288.39 g/mol, XLogP of 0.19, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide is sourced from PubChem (CID 163605177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).