N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide

C14H21IN4O2 — CID 111044863

IUPACN-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCC(=O)Nc1cccc(C/N=C(\N)N2CCOCC2)c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-11(19)17-13-4-2-3-12(9-13)10-16-14(15)18-5-7-20-8-6-18;/h2-4,9H,5-8,10H2,1H3,(H2,15,16)(H,17,19);1H
InChIKeyIGGQFARNEWUZBT-UHFFFAOYSA-N
MW404.25 g/mol
LogP1.41
Rot. Bonds3

About N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide

N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (PubChem CID 111044863) has the molecular formula C14H21IN4O2 and a molecular weight of 404.25 g/mol. Its IUPAC name is N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
PubChem CID111044863
Molecular FormulaC14H21IN4O2
Molecular Weight404.25 g/mol
Exact Mass404.07
IUPAC NameN-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCC(=O)Nc1cccc(C/N=C(\N)N2CCOCC2)c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-11(19)17-13-4-2-3-12(9-13)10-16-14(15)18-5-7-20-8-6-18;/h2-4,9H,5-8,10H2,1H3,(H2,15,16)(H,17,19);1H
InChIKeyIGGQFARNEWUZBT-UHFFFAOYSA-N
XLogP1.41
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 51.41
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111075141
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100464
N-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076661
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040430
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
1-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067239
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044869
N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
CID 120728055
methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111063808
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076685
N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044877

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (CID 111044863) is N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is CC(=O)Nc1cccc(C/N=C(\N)N2CCOCC2)c1.I.
What is the InChIKey of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The InChIKey is IGGQFARNEWUZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.HI/c1-11(19)17-13-4-2-3-12(9-13)10-16-14(15)18-5-7-20-8-6-18;/h2-4,9H,5-8,10H2,1H3,(H2,15,16)(H,17,19);1H.
What are the key properties of N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide has a molecular weight of 404.25 g/mol, XLogP of 1.41, 3 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]acetamide;hydroiodide is sourced from PubChem (CID 111044863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).