1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol

C24H34N2O4 — CID 56570250

IUPAC1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(Cc2ccccc2)C(C)CN2CCOCC2)cc1
InChIInChI=1S/C24H34N2O4/c1-20(16-25-12-14-29-15-13-25)26(17-21-6-4-3-5-7-21)18-22(27)19-30-24-10-8-23(28-2)9-11-24/h3-11,20,22,27H,12-19H2,1-2H3
InChIKeyWZQIUCOSZXPGTN-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.66
Rot. Bonds11

About 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol

1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 56570250) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID56570250
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(Cc2ccccc2)C(C)CN2CCOCC2)cc1
InChIInChI=1S/C24H34N2O4/c1-20(16-25-12-14-29-15-13-25)26(17-21-6-4-3-5-7-21)18-22(27)19-30-24-10-8-23(28-2)9-11-24/h3-11,20,22,27H,12-19H2,1-2H3
InChIKeyWZQIUCOSZXPGTN-UHFFFAOYSA-N
XLogP2.66
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 56570250) is 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CN(Cc2ccccc2)C(C)CN2CCOCC2)cc1.
What is the InChIKey of 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is WZQIUCOSZXPGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-20(16-25-12-14-29-15-13-25)26(17-21-6-4-3-5-7-21)18-22(27)19-30-24-10-8-23(28-2)9-11-24/h3-11,20,22,27H,12-19H2,1-2H3.
What are the key properties of 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 414.55 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 56570250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).