benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol

C27H30N2O4 — CID 647528

IUPACbenzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESO=C(O)c1ccccc1.OC(CNCC1CCCO1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H24N2O2.C7H6O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22;8-7(9)6-4-2-1-3-5-6/h1-4,7-10,15-16,21,23H,5-6,11-14H2;1-5H,(H,8,9)
InChIKeyFHLDVGOKOQIKTF-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.31
Rot. Bonds7

About benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol

benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 647528) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Namebenzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID647528
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Namebenzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESO=C(O)c1ccccc1.OC(CNCC1CCCO1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H24N2O2.C7H6O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22;8-7(9)6-4-2-1-3-5-6/h1-4,7-10,15-16,21,23H,5-6,11-14H2;1-5H,(H,8,9)
InChIKeyFHLDVGOKOQIKTF-UHFFFAOYSA-N
XLogP4.31
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 647528) is benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol is O=C(O)c1ccccc1.OC(CNCC1CCCO1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is FHLDVGOKOQIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C7H6O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22;8-7(9)6-4-2-1-3-5-6/h1-4,7-10,15-16,21,23H,5-6,11-14H2;1-5H,(H,8,9).
What are the key properties of benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol?
benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 446.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1-carbazol-9-yl-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 647528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).