1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one

C32H39N3O4 — CID 132780840

IUPAC1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one
SMILESCOCCN(Cc1ccc(OCCCN2CCCC2=O)cc1)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C32H39N3O4/c1-38-21-19-33(22-25-13-15-27(16-14-25)39-20-7-18-34-17-6-12-32(34)37)23-26(36)24-35-30-10-4-2-8-28(30)29-9-3-5-11-31(29)35/h2-5,8-11,13-16,26,36H,6-7,12,17-24H2,1H3
InChIKeyQSWAMKOGRGFZDI-UHFFFAOYSA-N
MW529.68 g/mol
LogP4.70
Rot. Bonds14

About 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one

1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one (PubChem CID 132780840) has the molecular formula C32H39N3O4 and a molecular weight of 529.68 g/mol. Its IUPAC name is 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one
PubChem CID132780840
Molecular FormulaC32H39N3O4
Molecular Weight529.68 g/mol
Exact Mass529.29
IUPAC Name1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one
SMILESCOCCN(Cc1ccc(OCCCN2CCCC2=O)cc1)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C32H39N3O4/c1-38-21-19-33(22-25-13-15-27(16-14-25)39-20-7-18-34-17-6-12-32(34)37)23-26(36)24-35-30-10-4-2-8-28(30)29-9-3-5-11-31(29)35/h2-5,8-11,13-16,26,36H,6-7,12,17-24H2,1H3
InChIKeyQSWAMKOGRGFZDI-UHFFFAOYSA-N
XLogP4.70
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.68
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[[[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132767291
1-[3-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129458533
(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol
CID 129454400
1-[2-[4-[[[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129456461
1-[3-[4-[[[(2R)-3-(2-ethoxyphenoxy)-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129457094
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[3-[4-[[[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129455458
1-[2-[4-[[[(2R)-3-(2-ethoxyphenoxy)-2-hydroxypropyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129454168
1-[3-[4-[[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129454854
(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
CID 129455263
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate
CID 11202593

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one (CID 132780840) is 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one is COCCN(Cc1ccc(OCCCN2CCCC2=O)cc1)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one?
The InChIKey is QSWAMKOGRGFZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4/c1-38-21-19-33(22-25-13-15-27(16-14-25)39-20-7-18-34-17-6-12-32(34)37)23-26(36)24-35-30-10-4-2-8-28(30)29-9-3-5-11-31(29)35/h2-5,8-11,13-16,26,36H,6-7,12,17-24H2,1H3.
What are the key properties of 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one?
1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one has a molecular weight of 529.68 g/mol, XLogP of 4.70, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 132780840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).