(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C29H43N3O4 — CID 143766341

IUPAC(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCC(C)NC(=O)CC[C@@H](CCO)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1
InChIInChI=1S/C29H43N3O4/c1-19(2)30-28(34)10-7-23(11-14-33)31(3)29(35)22-6-9-27-25(18-22)24-17-21(5-8-26(24)32(27)4)20-12-15-36-16-13-20/h6,9,18-21,23,33H,5,7-8,10-17H2,1-4H3,(H,30,34)/t21-,23+/m1/s1
InChIKeyANWUGIUUIVPMQG-GGAORHGYSA-N
MW497.68 g/mol
LogP3.84
Rot. Bonds9

About (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 143766341) has the molecular formula C29H43N3O4 and a molecular weight of 497.68 g/mol. Its IUPAC name is (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID143766341
Molecular FormulaC29H43N3O4
Molecular Weight497.68 g/mol
Exact Mass497.33
IUPAC Name(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCC(C)NC(=O)CC[C@@H](CCO)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1
InChIInChI=1S/C29H43N3O4/c1-19(2)30-28(34)10-7-23(11-14-33)31(3)29(35)22-6-9-27-25(18-22)24-17-21(5-8-26(24)32(27)4)20-12-15-36-16-13-20/h6,9,18-21,23,33H,5,7-8,10-17H2,1-4H3,(H,30,34)/t21-,23+/m1/s1
InChIKeyANWUGIUUIVPMQG-GGAORHGYSA-N
XLogP3.84
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 143766341) is (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CC(C)NC(=O)CC[C@@H](CCO)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1.
What is the InChIKey of (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is ANWUGIUUIVPMQG-GGAORHGYSA-N. The full InChI is InChI=1S/C29H43N3O4/c1-19(2)30-28(34)10-7-23(11-14-33)31(3)29(35)22-6-9-27-25(18-22)24-17-21(5-8-26(24)32(27)4)20-12-15-36-16-13-20/h6,9,18-21,23,33H,5,7-8,10-17H2,1-4H3,(H,30,34)/t21-,23+/m1/s1.
What are the key properties of (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 497.68 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 143766341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).