N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide

C19H30FN5O2 — CID 111368761

IUPACN-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)Nc1ccc(F)cc1)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C19H30FN5O2/c1-14(2)12-25-8-9-27-17(13-25)10-22-19(21-3)23-11-18(26)24-16-6-4-15(20)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyXXCNVJAHECZPST-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.29
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide

N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide (PubChem CID 111368761) has the molecular formula C19H30FN5O2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
PubChem CID111368761
Molecular FormulaC19H30FN5O2
Molecular Weight379.48 g/mol
Exact Mass379.24
IUPAC NameN-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)Nc1ccc(F)cc1)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C19H30FN5O2/c1-14(2)12-25-8-9-27-17(13-25)10-22-19(21-3)23-11-18(26)24-16-6-4-15(20)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyXXCNVJAHECZPST-UHFFFAOYSA-N
XLogP1.29
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111369603
N-tert-butyl-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111369639
1-[4-(4-fluorophenoxy)butyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111368386
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
3-methyl-N-[3-[[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111368962
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 115626310
1-(cyclopropylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368833
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide
CID 110977953
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111362478
3-methyl-N-[3-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propyl]furan-2-carboxamide
CID 111775874
1-[2-(2-fluorophenyl)sulfonylethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111578310

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide (CID 111368761) is N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide is C/N=C(\NCC(=O)Nc1ccc(F)cc1)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide?
The InChIKey is XXCNVJAHECZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O2/c1-14(2)12-25-8-9-27-17(13-25)10-22-19(21-3)23-11-18(26)24-16-6-4-15(20)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,24,26)(H2,21,22,23).
What are the key properties of N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide has a molecular weight of 379.48 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111368761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).