1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea

C20H25ClN4O2 — CID 129432047

IUPAC1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
SMILESCCNC(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-2-22-20(26)24-23-14-17-6-5-16(13-15-3-7-18(21)8-4-15)19(17)25-9-11-27-12-10-25/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H2,22,24,26)/b16-13-,23-14?
InChIKeyRFSNMRPHBMQWJO-DMWRUOAHSA-N
MW388.90 g/mol
LogP3.41
Rot. Bonds5

About 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea

1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea (PubChem CID 129432047) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea.

Molecular Properties

Compound Name1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
PubChem CID129432047
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
SMILESCCNC(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-2-22-20(26)24-23-14-17-6-5-16(13-15-3-7-18(21)8-4-15)19(17)25-9-11-27-12-10-25/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H2,22,24,26)/b16-13-,23-14?
InChIKeyRFSNMRPHBMQWJO-DMWRUOAHSA-N
XLogP3.41
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', '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

1-[[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylthiourea
CID 3641057
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917
N-[(E)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6905178
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054
(E)-4-[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-1,1,1-trifluorobut-3-en-2-one
CID 2306752
N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883664
3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
CID 23876396
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326
N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
CID 3725515
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019

Frequently Asked Questions

What is the IUPAC name of 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea?
The IUPAC name of 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea (CID 129432047) is 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea.
What is the SMILES notation for 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea?
The canonical SMILES for 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea is CCNC(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea?
The InChIKey is RFSNMRPHBMQWJO-DMWRUOAHSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-2-22-20(26)24-23-14-17-6-5-16(13-15-3-7-18(21)8-4-15)19(17)25-9-11-27-12-10-25/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H2,22,24,26)/b16-13-,23-14?.
What are the key properties of 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea?
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea has a molecular weight of 388.90 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea is sourced from PubChem (CID 129432047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).