N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide

C41H45N5O7 — CID 170703922

IUPACN-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide
SMILESCN(Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1)C(=O)CCCCCCC#Cc1ccc2c(c1)CN([C@H]1CCC(O)NC1=O)C2=O
InChIInChI=1S/C41H45N5O7/c1-44(26-29-10-8-11-33(24-29)53-22-21-45-20-19-30-14-15-31(25-36(30)45)39(49)43-52)38(48)12-7-5-3-2-4-6-9-28-13-16-34-32(23-28)27-46(41(34)51)35-17-18-37(47)42-40(35)50/h8,10-11,13-16,19-20,23-25,35,37,47,52H,2-5,7,12,17-18,21-22,26-27H2,1H3,(H,42,50)(H,43,49)/t35-,37?/m0/s1
InChIKeyUWSPZPYPDFZMMQ-FXGUBZCASA-N
MW719.84 g/mol
LogP4.74
Rot. Bonds14

About N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide

N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide (PubChem CID 170703922) has the molecular formula C41H45N5O7 and a molecular weight of 719.84 g/mol. Its IUPAC name is N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide
PubChem CID170703922
Molecular FormulaC41H45N5O7
Molecular Weight719.84 g/mol
Exact Mass719.33
IUPAC NameN-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide
SMILESCN(Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1)C(=O)CCCCCCC#Cc1ccc2c(c1)CN([C@H]1CCC(O)NC1=O)C2=O
InChIInChI=1S/C41H45N5O7/c1-44(26-29-10-8-11-33(24-29)53-22-21-45-20-19-30-14-15-31(25-36(30)45)39(49)43-52)38(48)12-7-5-3-2-4-6-9-28-13-16-34-32(23-28)27-46(41(34)51)35-17-18-37(47)42-40(35)50/h8,10-11,13-16,19-20,23-25,35,37,47,52H,2-5,7,12,17-18,21-22,26-27H2,1H3,(H,42,50)(H,43,49)/t35-,37?/m0/s1
InChIKeyUWSPZPYPDFZMMQ-FXGUBZCASA-N
XLogP4.74
TPSA153.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500719.84
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide with MolForge

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Related Compounds

1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide
CID 170704067
1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
CID 170703851
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
CID 170703946
methyl 1-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]indole-6-carboxylate;methyl 1-[2-(3-formylphenoxy)ethyl]indole-6-carboxylate;N-methylmethanamine
CID 158788090
N-[4-[2-[[2-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoxy]phenyl]acetyl]-methylamino]-5-methyl-1,3-thiazol-4-yl]-1-bicyclo[2.1.1]hexanyl]cyclopropanecarboxamide
CID 177161262
3-[6-[8-(1-adamantylamino)oct-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156788849
1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
CID 87266182
N-hydroxy-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266323
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]prop-2-ynyl]piperazin-1-yl]-N'-hexylbenzohydrazide
CID 177318218
2-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]-8-[8-[[2-(6-hydroxy-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]octanoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 174252491
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]but-3-ynyl]carbamate
CID 159443889

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide?
The IUPAC name of N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide (CID 170703922) is N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide is CN(Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1)C(=O)CCCCCCC#Cc1ccc2c(c1)CN([C@H]1CCC(O)NC1=O)C2=O.
What is the InChIKey of N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide?
The InChIKey is UWSPZPYPDFZMMQ-FXGUBZCASA-N. The full InChI is InChI=1S/C41H45N5O7/c1-44(26-29-10-8-11-33(24-29)53-22-21-45-20-19-30-14-15-31(25-36(30)45)39(49)43-52)38(48)12-7-5-3-2-4-6-9-28-13-16-34-32(23-28)27-46(41(34)51)35-17-18-37(47)42-40(35)50/h8,10-11,13-16,19-20,23-25,35,37,47,52H,2-5,7,12,17-18,21-22,26-27H2,1H3,(H,42,50)(H,43,49)/t35-,37?/m0/s1.
What are the key properties of N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide?
N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide has a molecular weight of 719.84 g/mol, XLogP of 4.74, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide is sourced from PubChem (CID 170703922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).