[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea

C15H22N4O3 — CID 168533014

IUPAC[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N4O3/c16-15(20)18-17-12-13-2-4-14(5-3-13)22-9-1-6-19-7-10-21-11-8-19/h2-5,12H,1,6-11H2,(H3,16,18,20)
InChIKeyDMEQBAKRHHBXDA-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.79
Rot. Bonds7

About [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea

[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea (PubChem CID 168533014) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
PubChem CID168533014
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N4O3/c16-15(20)18-17-12-13-2-4-14(5-3-13)22-9-1-6-19-7-10-21-11-8-19/h2-5,12H,1,6-11H2,(H3,16,18,20)
InChIKeyDMEQBAKRHHBXDA-UHFFFAOYSA-N
XLogP0.79
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592435
N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 5171028
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627162
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261

Frequently Asked Questions

What is the IUPAC name of [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea (CID 168533014) is [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea?
The InChIKey is DMEQBAKRHHBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c16-15(20)18-17-12-13-2-4-14(5-3-13)22-9-1-6-19-7-10-21-11-8-19/h2-5,12H,1,6-11H2,(H3,16,18,20).
What are the key properties of [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea?
[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea has a molecular weight of 306.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).