N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide

C21H37N5O3 — CID 111936667

IUPACN-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CC(C(CC)CC)N1CCOCC1)NCCNC(=O)c1ccco1
InChIInChI=1S/C21H37N5O3/c1-4-17(5-2)18(26-11-14-28-15-12-26)16-25-21(22-6-3)24-10-9-23-20(27)19-8-7-13-29-19/h7-8,13,17-18H,4-6,9-12,14-16H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyOYTGOUACVGJZJH-UHFFFAOYSA-N
MW407.56 g/mol
LogP1.70
Rot. Bonds11

About N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 111936667) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
PubChem CID111936667
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CC(C(CC)CC)N1CCOCC1)NCCNC(=O)c1ccco1
InChIInChI=1S/C21H37N5O3/c1-4-17(5-2)18(26-11-14-28-15-12-26)16-25-21(22-6-3)24-10-9-23-20(27)19-8-7-13-29-19/h7-8,13,17-18H,4-6,9-12,14-16H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyOYTGOUACVGJZJH-UHFFFAOYSA-N
XLogP1.70
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111309666
3-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634129
N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111936331
N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111003775
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936874
N-[2-[[N-ethyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111012214
N-[2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111931402
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110978304
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine
CID 111936761
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344010
N-butan-2-yl-3-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111936282
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111322763

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide (CID 111936667) is N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide is CCN/C(=N\CC(C(CC)CC)N1CCOCC1)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is OYTGOUACVGJZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-4-17(5-2)18(26-11-14-28-15-12-26)16-25-21(22-6-3)24-10-9-23-20(27)19-8-7-13-29-19/h7-8,13,17-18H,4-6,9-12,14-16H2,1-3H3,(H,23,27)(H2,22,24,25).
What are the key properties of N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 1.70, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111936667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).