N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide

C20H33N5O3 — CID 111020931

IUPACN-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H33N5O3/c1-4-21-20(24-15-16(2)25-11-13-28-14-12-25)23-10-9-22-19(26)17-5-7-18(27-3)8-6-17/h5-8,16H,4,9-15H2,1-3H3,(H,22,26)(H2,21,23,24)
InChIKeyIVAWWFPUSJSSMQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.70
Rot. Bonds9

About N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide

N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide (PubChem CID 111020931) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide
PubChem CID111020931
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC NameN-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H33N5O3/c1-4-21-20(24-15-16(2)25-11-13-28-14-12-25)23-10-9-22-19(26)17-5-7-18(27-3)8-6-17/h5-8,16H,4,9-15H2,1-3H3,(H,22,26)(H2,21,23,24)
InChIKeyIVAWWFPUSJSSMQ-UHFFFAOYSA-N
XLogP0.70
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.70
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-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111021180
3,4-dichloro-N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111020933
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022138
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111787870
1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111780371
1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021952
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111021855
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111309666
4-methoxy-N-[2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 111931216
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111682704
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide (CID 111020931) is N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide is CCN/C(=N\CC(C)N1CCOCC1)NCCNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide?
The InChIKey is IVAWWFPUSJSSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-4-21-20(24-15-16(2)25-11-13-28-14-12-25)23-10-9-22-19(26)17-5-7-18(27-3)8-6-17/h5-8,16H,4,9-15H2,1-3H3,(H,22,26)(H2,21,23,24).
What are the key properties of N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide?
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide has a molecular weight of 391.52 g/mol, XLogP of 0.70, 9 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'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 111020931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).