N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide

C24H38FN5O2 — CID 111003637

IUPACN-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C24H38FN5O2/c1-2-26-23(28-12-11-27-22(31)18-20-7-6-8-21(25)17-20)29-19-24(9-4-3-5-10-24)30-13-15-32-16-14-30/h6-8,17H,2-5,9-16,18-19H2,1H3,(H,27,31)(H2,26,28,29)
InChIKeyRCVCDJREGPATKQ-UHFFFAOYSA-N
MW447.60 g/mol
LogP2.07
Rot. Bonds9

About N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 111003637) has the molecular formula C24H38FN5O2 and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID111003637
Molecular FormulaC24H38FN5O2
Molecular Weight447.60 g/mol
Exact Mass447.30
IUPAC NameN-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C24H38FN5O2/c1-2-26-23(28-12-11-27-22(31)18-20-7-6-8-21(25)17-20)29-19-24(9-4-3-5-10-24)30-13-15-32-16-14-30/h6-8,17H,2-5,9-16,18-19H2,1H3,(H,27,31)(H2,26,28,29)
InChIKeyRCVCDJREGPATKQ-UHFFFAOYSA-N
XLogP2.07
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.07
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

N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111003775
N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111003201
1-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111004404
2-[[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111003234
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003241
1-ethyl-3-(2-methylsulfonylethyl)-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003490
1-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972461
N-[2-[[N-ethyl-N'-[[1-(3-fluorophenyl)cyclopropyl]methyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111638716
3-[[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111003288
1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111759805
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003701
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111826878

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 111003637) is N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide is CCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is RCVCDJREGPATKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN5O2/c1-2-26-23(28-12-11-27-22(31)18-20-7-6-8-21(25)17-20)29-19-24(9-4-3-5-10-24)30-13-15-32-16-14-30/h6-8,17H,2-5,9-16,18-19H2,1H3,(H,27,31)(H2,26,28,29).
What are the key properties of N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 447.60 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 111003637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).