(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol

C20H30N2O5 — CID 44541895

IUPAC(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(/C=N/OC[C@@H](O)CN2CCOCC2)cc1OC1CCCC1
InChIInChI=1S/C20H30N2O5/c1-24-19-7-6-16(12-20(19)27-18-4-2-3-5-18)13-21-26-15-17(23)14-22-8-10-25-11-9-22/h6-7,12-13,17-18,23H,2-5,8-11,14-15H2,1H3/b21-13+/t17-/m0/s1
InChIKeyQQPQPLHZCIULFX-RSZPVBOMSA-N
MW378.47 g/mol
LogP2.06
Rot. Bonds9

About (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol

(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 44541895) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID44541895
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(/C=N/OC[C@@H](O)CN2CCOCC2)cc1OC1CCCC1
InChIInChI=1S/C20H30N2O5/c1-24-19-7-6-16(12-20(19)27-18-4-2-3-5-18)13-21-26-15-17(23)14-22-8-10-25-11-9-22/h6-7,12-13,17-18,23H,2-5,8-11,14-15H2,1H3/b21-13+/t17-/m0/s1
InChIKeyQQPQPLHZCIULFX-RSZPVBOMSA-N
XLogP2.06
TPSA72.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol
CID 118711357
1-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 122179938
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 70159413
2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone
CID 122179941
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28872431

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol (CID 44541895) is (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol is COc1ccc(/C=N/OC[C@@H](O)CN2CCOCC2)cc1OC1CCCC1.
What is the InChIKey of (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is QQPQPLHZCIULFX-RSZPVBOMSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-24-19-7-6-16(12-20(19)27-18-4-2-3-5-18)13-21-26-15-17(23)14-22-8-10-25-11-9-22/h6-7,12-13,17-18,23H,2-5,8-11,14-15H2,1H3/b21-13+/t17-/m0/s1.
What are the key properties of (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 378.47 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 44541895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).