N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

C23H31N5O2 — CID 111054305

IUPACN-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)NCCc1ccccc1
InChIInChI=1S/C23H31N5O2/c24-23(25-11-9-19-5-2-1-3-6-19)26-18-20-7-4-8-21(17-20)27-22(29)10-12-28-13-15-30-16-14-28/h1-8,17H,9-16,18H2,(H,27,29)(H3,24,25,26)
InChIKeyDJIMOPRNAHTBTE-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.99
Rot. Bonds9

About N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 111054305) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID111054305
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)NCCc1ccccc1
InChIInChI=1S/C23H31N5O2/c24-23(25-11-9-19-5-2-1-3-6-19)26-18-20-7-4-8-21(17-20)27-22(29)10-12-28-13-15-30-16-14-28/h1-8,17H,9-16,18H2,(H,27,29)(H3,24,25,26)
InChIKeyDJIMOPRNAHTBTE-UHFFFAOYSA-N
XLogP1.99
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.99
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-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide 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

N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 110925915
N-[3-[[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111054322
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076617
N-[3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 110948108
N-[3-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111943393
N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111360103
N-[3-[[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111738990
2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033221
N-[3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111580379
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (CID 111054305) is N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is N/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)NCCc1ccccc1.
What is the InChIKey of N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is DJIMOPRNAHTBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c24-23(25-11-9-19-5-2-1-3-6-19)26-18-20-7-4-8-21(17-20)27-22(29)10-12-28-13-15-30-16-14-28/h1-8,17H,9-16,18H2,(H,27,29)(H3,24,25,26).
What are the key properties of N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 409.53 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 111054305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).