(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol

C28H34N2O5 — CID 129455263

IUPAC(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
SMILESCOc1cc(CN(CCCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)ccc1OCCO
InChIInChI=1S/C28H34N2O5/c1-34-28-17-21(11-12-27(28)35-16-15-32)18-29(13-6-14-31)19-22(33)20-30-25-9-4-2-7-23(25)24-8-3-5-10-26(24)30/h2-5,7-12,17,22,31-33H,6,13-16,18-20H2,1H3/t22-/m1/s1
InChIKeyHSQKOKXIKWWVAU-JOCHJYFZSA-N
MW478.59 g/mol
LogP3.42
Rot. Bonds13

About (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol

(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol (PubChem CID 129455263) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
PubChem CID129455263
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
SMILESCOc1cc(CN(CCCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)ccc1OCCO
InChIInChI=1S/C28H34N2O5/c1-34-28-17-21(11-12-27(28)35-16-15-32)18-29(13-6-14-31)19-22(33)20-30-25-9-4-2-7-23(25)24-8-3-5-10-26(24)30/h2-5,7-12,17,22,31-33H,6,13-16,18-20H2,1H3/t22-/m1/s1
InChIKeyHSQKOKXIKWWVAU-JOCHJYFZSA-N
XLogP3.42
TPSA87.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol
CID 129454400
1-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)amino]-3-phenothiazin-10-ylpropan-2-ol
CID 132780782
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 132778798
1-[2-hydroxyethyl-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-3-phenothiazin-10-ylpropan-2-ol
CID 132781120
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 132780840
4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
CID 2947004
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130
4-[3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86893144
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-methoxyphenoxy]ethanol;dihydrochloride
CID 17214902
(2S)-1-(4-chlorophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 93161034
1-[(3,4-dimethoxyphenyl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 46006960

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol (CID 129455263) is (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol is COc1cc(CN(CCCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)ccc1OCCO.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol?
The InChIKey is HSQKOKXIKWWVAU-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-34-28-17-21(11-12-27(28)35-16-15-32)18-29(13-6-14-31)19-22(33)20-30-25-9-4-2-7-23(25)24-8-3-5-10-26(24)30/h2-5,7-12,17,22,31-33H,6,13-16,18-20H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol?
(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol has a molecular weight of 478.59 g/mol, XLogP of 3.42, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 129455263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).