(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol

C29H36N2O5 — CID 129454400

IUPAC(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol
SMILESCOCCOc1cc(CN(CCOC)C[C@H](O)Cn2c3ccccc3c3ccccc32)ccc1OC
InChIInChI=1S/C29H36N2O5/c1-33-15-14-30(19-22-12-13-28(35-3)29(18-22)36-17-16-34-2)20-23(32)21-31-26-10-6-4-8-24(26)25-9-5-7-11-27(25)31/h4-13,18,23,32H,14-17,19-21H2,1-3H3/t23-/m0/s1
InChIKeyDROFEBGLNNSBJV-QHCPKHFHSA-N
MW492.62 g/mol
LogP4.34
Rot. Bonds14

About (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol

(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol (PubChem CID 129454400) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol
PubChem CID129454400
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Name(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol
SMILESCOCCOc1cc(CN(CCOC)C[C@H](O)Cn2c3ccccc3c3ccccc32)ccc1OC
InChIInChI=1S/C29H36N2O5/c1-33-15-14-30(19-22-12-13-28(35-3)29(18-22)36-17-16-34-2)20-23(32)21-31-26-10-6-4-8-24(26)25-9-5-7-11-27(25)31/h4-13,18,23,32H,14-17,19-21H2,1-3H3/t23-/m0/s1
InChIKeyDROFEBGLNNSBJV-QHCPKHFHSA-N
XLogP4.34
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
CID 129455263
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
(2R)-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129459527
1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 132780840
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 46064845
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
1-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)amino]-3-phenothiazin-10-ylpropan-2-ol
CID 132780782
(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
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 92994322

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol (CID 129454400) is (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol is COCCOc1cc(CN(CCOC)C[C@H](O)Cn2c3ccccc3c3ccccc32)ccc1OC.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol?
The InChIKey is DROFEBGLNNSBJV-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-33-15-14-30(19-22-12-13-28(35-3)29(18-22)36-17-16-34-2)20-23(32)21-31-26-10-6-4-8-24(26)25-9-5-7-11-27(25)31/h4-13,18,23,32H,14-17,19-21H2,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol?
(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol has a molecular weight of 492.62 g/mol, XLogP of 4.34, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 129454400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).