[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea

C15H22N4O4 — CID 168532539

IUPAC[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
SMILESCOc1cc(C=NNC(N)=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C15H22N4O4/c1-21-14-10-12(11-17-18-15(16)20)2-3-13(14)23-9-6-19-4-7-22-8-5-19/h2-3,10-11H,4-9H2,1H3,(H3,16,18,20)
InChIKeyFFWXSRFQQCMANP-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.41
Rot. Bonds7

About [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea

[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea (PubChem CID 168532539) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
PubChem CID168532539
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
SMILESCOc1cc(C=NNC(N)=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C15H22N4O4/c1-21-14-10-12(11-17-18-15(16)20)2-3-13(14)23-9-6-19-4-7-22-8-5-19/h2-3,10-11H,4-9H2,1H3,(H3,16,18,20)
InChIKeyFFWXSRFQQCMANP-UHFFFAOYSA-N
XLogP0.41
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169382491
N-[(Z)-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5431219
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
CID 168533014
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549

Frequently Asked Questions

What is the IUPAC name of [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea?
The IUPAC name of [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea (CID 168532539) is [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea is COc1cc(C=NNC(N)=O)ccc1OCCN1CCOCC1.
What is the InChIKey of [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea?
The InChIKey is FFWXSRFQQCMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-21-14-10-12(11-17-18-15(16)20)2-3-13(14)23-9-6-19-4-7-22-8-5-19/h2-3,10-11H,4-9H2,1H3,(H3,16,18,20).
What are the key properties of [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea?
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea has a molecular weight of 322.37 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 168532539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).