N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide

C25H41N5O2 — CID 111314548

IUPACN-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)C2CCCCC2)c1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C25H41N5O2/c1-4-26-24(28-19-25(2,3)30-13-15-32-16-14-30)27-18-20-9-8-12-22(17-20)29-23(31)21-10-6-5-7-11-21/h8-9,12,17,21H,4-7,10-11,13-16,18-19H2,1-3H3,(H,29,31)(H2,26,27,28)
InChIKeyZQCXBGVXVJHZPE-UHFFFAOYSA-N
MW443.64 g/mol
LogP3.37
Rot. Bonds8

About N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide

N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide (PubChem CID 111314548) has the molecular formula C25H41N5O2 and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
PubChem CID111314548
Molecular FormulaC25H41N5O2
Molecular Weight443.64 g/mol
Exact Mass443.33
IUPAC NameN-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)C2CCCCC2)c1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C25H41N5O2/c1-4-26-24(28-19-25(2,3)30-13-15-32-16-14-30)27-18-20-9-8-12-22(17-20)29-23(31)21-10-6-5-7-11-21/h8-9,12,17,21H,4-7,10-11,13-16,18-19H2,1-3H3,(H,29,31)(H2,26,27,28)
InChIKeyZQCXBGVXVJHZPE-UHFFFAOYSA-N
XLogP3.37
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 53.37
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-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 111929758
3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111313384
N-[3-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111870181
N-[3-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 110981162
N-[3-[[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111657462
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111251656
N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
CID 111961695
3-[[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111320482
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111314773
tert-butyl N-[2-[[N'-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885344
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111075141
N-[3-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111223219

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide (CID 111314548) is N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide is CCN/C(=N\Cc1cccc(NC(=O)C2CCCCC2)c1)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is ZQCXBGVXVJHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O2/c1-4-26-24(28-19-25(2,3)30-13-15-32-16-14-30)27-18-20-9-8-12-22(17-20)29-23(31)21-10-6-5-7-11-21/h8-9,12,17,21H,4-7,10-11,13-16,18-19H2,1-3H3,(H,29,31)(H2,26,27,28).
What are the key properties of N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 443.64 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 111314548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).