1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea

C21H24N4O4 — CID 9242424

IUPAC1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N4O4/c1-16(23-24-21(27)22-18-5-3-2-4-6-18)17-7-9-19(10-8-17)29-15-20(26)25-11-13-28-14-12-25/h2-10H,11-15H2,1H3,(H2,22,24,27)/b23-16-
InChIKeyCXMWRKMELRJOLN-KQWNVCNZSA-N
MW396.45 g/mol
LogP2.47
Rot. Bonds6

About 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea

1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea (PubChem CID 9242424) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
PubChem CID9242424
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N4O4/c1-16(23-24-21(27)22-18-5-3-2-4-6-18)17-7-9-19(10-8-17)29-15-20(26)25-11-13-28-14-12-25/h2-10H,11-15H2,1H3,(H2,22,24,27)/b23-16-
InChIKeyCXMWRKMELRJOLN-KQWNVCNZSA-N
XLogP2.47
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-[4-(morpholine-4-carbonyl)phenoxy]-N-phenylacetamide
CID 18837739
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
CID 9120802
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate
CID 9075161
2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
CID 9235557

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea (CID 9242424) is 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea is C/C(=N/NC(=O)Nc1ccccc1)c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea?
The InChIKey is CXMWRKMELRJOLN-KQWNVCNZSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-16(23-24-21(27)22-18-5-3-2-4-6-18)17-7-9-19(10-8-17)29-15-20(26)25-11-13-28-14-12-25/h2-10H,11-15H2,1H3,(H2,22,24,27)/b23-16-.
What are the key properties of 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea?
1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea has a molecular weight of 396.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea is sourced from PubChem (CID 9242424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).