1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine

C15H22N6O4 — CID 168604379

IUPAC1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H22N6O4/c1-23-12-8-10(19-15(18)20-14(16)17)2-3-11(12)25-9-13(22)21-4-6-24-7-5-21/h2-3,8H,4-7,9H2,1H3,(H6,16,17,18,19,20)
InChIKeyTUPJFEXGPAUFCJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP-0.85
Rot. Bonds5

About 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine (PubChem CID 168604379) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine
PubChem CID168604379
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H22N6O4/c1-23-12-8-10(19-15(18)20-14(16)17)2-3-11(12)25-9-13(22)21-4-6-24-7-5-21/h2-3,8H,4-7,9H2,1H3,(H6,16,17,18,19,20)
InChIKeyTUPJFEXGPAUFCJ-UHFFFAOYSA-N
XLogP-0.85
TPSA150.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine
CID 168605232
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4906451
2-[2-methoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 9059552

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine (CID 168604379) is 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine is COc1cc(/N=C(\N)N=C(N)N)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine?
The InChIKey is TUPJFEXGPAUFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c1-23-12-8-10(19-15(18)20-14(16)17)2-3-11(12)25-9-13(22)21-4-6-24-7-5-21/h2-3,8H,4-7,9H2,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine has a molecular weight of 350.38 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine is sourced from PubChem (CID 168604379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).