N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine

C23H27Cl2N2O2P — CID 2307349

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C23H27Cl2N2O2P/c24-22(20-8-3-1-4-9-20)18-30(28,19-23(25)21-10-5-2-6-11-21)26-12-7-13-27-14-16-29-17-15-27/h1-6,8-11,18-19H,7,12-17H2,(H,26,28)/b22-18-,23-19-
InChIKeyQOWMKBMYMQFTQB-RSFSRFMPSA-N
MW465.36 g/mol
LogP6.05
Rot. Bonds9

About N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine (PubChem CID 2307349) has the molecular formula C23H27Cl2N2O2P and a molecular weight of 465.36 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine
PubChem CID2307349
Molecular FormulaC23H27Cl2N2O2P
Molecular Weight465.36 g/mol
Exact Mass464.12
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C23H27Cl2N2O2P/c24-22(20-8-3-1-4-9-20)18-30(28,19-23(25)21-10-5-2-6-11-21)26-12-7-13-27-14-16-29-17-15-27/h1-6,8-11,18-19H,7,12-17H2,(H,26,28)/b22-18-,23-19-
InChIKeyQOWMKBMYMQFTQB-RSFSRFMPSA-N
XLogP6.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.36
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 2319063
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N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
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N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
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2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 11741077
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine (CID 2307349) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine is O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is QOWMKBMYMQFTQB-RSFSRFMPSA-N. The full InChI is InChI=1S/C23H27Cl2N2O2P/c24-22(20-8-3-1-4-9-20)18-30(28,19-23(25)21-10-5-2-6-11-21)26-12-7-13-27-14-16-29-17-15-27/h1-6,8-11,18-19H,7,12-17H2,(H,26,28)/b22-18-,23-19-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 465.36 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 2307349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).