(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide

C29H44N5O3P — CID 75408561

IUPAC(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
SMILESCCN(CC)c1ccc(/C=C2/CCC(C(=O)NP(=O)(N3CCCC3)N3CCCC3)=C2N2CCOCC2)cc1
InChIInChI=1S/C29H44N5O3P/c1-3-31(4-2)26-12-9-24(10-13-26)23-25-11-14-27(28(25)32-19-21-37-22-20-32)29(35)30-38(36,33-15-5-6-16-33)34-17-7-8-18-34/h9-10,12-13,23H,3-8,11,14-22H2,1-2H3,(H,30,35,36)/b25-23-
InChIKeyMAKWIKZTIRNIPI-BZZOAKBMSA-N
MW541.68 g/mol
LogP4.71
Rot. Bonds9

About (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide

(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide (PubChem CID 75408561) has the molecular formula C29H44N5O3P and a molecular weight of 541.68 g/mol. Its IUPAC name is (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
PubChem CID75408561
Molecular FormulaC29H44N5O3P
Molecular Weight541.68 g/mol
Exact Mass541.32
IUPAC Name(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
SMILESCCN(CC)c1ccc(/C=C2/CCC(C(=O)NP(=O)(N3CCCC3)N3CCCC3)=C2N2CCOCC2)cc1
InChIInChI=1S/C29H44N5O3P/c1-3-31(4-2)26-12-9-24(10-13-26)23-25-11-14-27(28(25)32-19-21-37-22-20-32)29(35)30-38(36,33-15-5-6-16-33)34-17-7-8-18-34/h9-10,12-13,23H,3-8,11,14-22H2,1-2H3,(H,30,35,36)/b25-23-
InChIKeyMAKWIKZTIRNIPI-BZZOAKBMSA-N
XLogP4.71
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.68
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(diethylamino)phenyl]methylidene]-N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 3406499
N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
CID 23876396
N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
CID 3725515
3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 154774464
ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
CID 5026808
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 92954270
N,N-diethyl-4-[[2-morpholin-4-yl-3-[[[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 4194976
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(E)-[(E)-(2-morpholin-4-yl-3-phenylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 167968917
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione
CID 3458596
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide?
The IUPAC name of (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide (CID 75408561) is (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide.
What is the SMILES notation for (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide?
The canonical SMILES for (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide is CCN(CC)c1ccc(/C=C2/CCC(C(=O)NP(=O)(N3CCCC3)N3CCCC3)=C2N2CCOCC2)cc1.
What is the InChIKey of (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide?
The InChIKey is MAKWIKZTIRNIPI-BZZOAKBMSA-N. The full InChI is InChI=1S/C29H44N5O3P/c1-3-31(4-2)26-12-9-24(10-13-26)23-25-11-14-27(28(25)32-19-21-37-22-20-32)29(35)30-38(36,33-15-5-6-16-33)34-17-7-8-18-34/h9-10,12-13,23H,3-8,11,14-22H2,1-2H3,(H,30,35,36)/b25-23-.
What are the key properties of (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide?
(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide has a molecular weight of 541.68 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide is sourced from PubChem (CID 75408561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).