N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

C25H35N5O2 — CID 111360103

IUPACN-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)NCc1ccccc1C
InChIInChI=1S/C25H35N5O2/c1-3-26-25(28-19-22-9-5-4-7-20(22)2)27-18-21-8-6-10-23(17-21)29-24(31)11-12-30-13-15-32-16-14-30/h4-10,17H,3,11-16,18-19H2,1-2H3,(H,29,31)(H2,26,27,28)
InChIKeyVFHVMXTUZONNML-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.91
Rot. Bonds9

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

N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 111360103) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID111360103
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)NCc1ccccc1C
InChIInChI=1S/C25H35N5O2/c1-3-26-25(28-19-22-9-5-4-7-20(22)2)27-18-21-8-6-10-23(17-21)29-24(31)11-12-30-13-15-32-16-14-30/h4-10,17H,3,11-16,18-19H2,1-2H3,(H,29,31)(H2,26,27,28)
InChIKeyVFHVMXTUZONNML-UHFFFAOYSA-N
XLogP2.91
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.91
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'}

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Related Compounds

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-(5-methylhexylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111580379
N-[3-[[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111738990
N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 110925915
N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111359243
1-ethyl-3-[(2-methylphenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111359004
N-[3-[[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 110972754
N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111054305
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
N-[3-[[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]methyl]phenyl]butanamide
CID 111931414
1-ethyl-3-[(2-methylphenyl)methyl]-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111360924

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (CID 111360103) is N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is CCN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)NCc1ccccc1C.
What is the InChIKey of N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is VFHVMXTUZONNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-3-26-25(28-19-22-9-5-4-7-20(22)2)27-18-21-8-6-10-23(17-21)29-24(31)11-12-30-13-15-32-16-14-30/h4-10,17H,3,11-16,18-19H2,1-2H3,(H,29,31)(H2,26,27,28).
What are the key properties of N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 437.59 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 111360103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).