N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide

C18H26N4O2 — CID 111075141

IUPACN-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
SMILESN/C(=N\Cc1cccc(NC(=O)C2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C18H26N4O2/c19-18(22-8-10-24-11-9-22)20-13-14-4-3-7-16(12-14)21-17(23)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H2,19,20)(H,21,23)
InChIKeyBIKRZZSARYQYIJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.96
Rot. Bonds4

About N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 111075141) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID111075141
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
SMILESN/C(=N\Cc1cccc(NC(=O)C2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C18H26N4O2/c19-18(22-8-10-24-11-9-22)20-13-14-4-3-7-16(12-14)21-17(23)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H2,19,20)(H,21,23)
InChIKeyBIKRZZSARYQYIJ-UHFFFAOYSA-N
XLogP1.96
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111046891
N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 110926046
N-[3-[[[amino-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 111074088
1-[[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111803789
N-[3-[[[amino-(cyclohexylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111046818
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111083100
N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
CID 111314548
N-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076661
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
N-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 110030433
N-[3-[[[amino(propylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111046823

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide (CID 111075141) is N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide is N/C(=N\Cc1cccc(NC(=O)C2CCCC2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is BIKRZZSARYQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-18(22-8-10-24-11-9-22)20-13-14-4-3-7-16(12-14)21-17(23)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H2,19,20)(H,21,23).
What are the key properties of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 111075141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).