N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide

C29H34N4O4 — CID 89185485

IUPACN-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide
SMILESCN(CCCCCC(=O)NO)C(=O)C(CC1CNc2ccccc21)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H34N4O4/c1-33(16-8-2-3-13-27(34)32-37)29(36)26(18-23-19-30-25-12-7-6-11-24(23)25)31-28(35)22-15-14-20-9-4-5-10-21(20)17-22/h4-7,9-12,14-15,17,23,26,30,37H,2-3,8,13,16,18-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyHLQUXARKFLYFNE-UHFFFAOYSA-N
MW502.62 g/mol
LogP4.06
Rot. Bonds11

About N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide

N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide (PubChem CID 89185485) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide
PubChem CID89185485
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC NameN-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide
SMILESCN(CCCCCC(=O)NO)C(=O)C(CC1CNc2ccccc21)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H34N4O4/c1-33(16-8-2-3-13-27(34)32-37)29(36)26(18-23-19-30-25-12-7-6-11-24(23)25)31-28(35)22-15-14-20-9-4-5-10-21(20)17-22/h4-7,9-12,14-15,17,23,26,30,37H,2-3,8,13,16,18-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyHLQUXARKFLYFNE-UHFFFAOYSA-N
XLogP4.06
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide (CID 89185485) is N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide is CN(CCCCCC(=O)NO)C(=O)C(CC1CNc2ccccc21)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide?
The InChIKey is HLQUXARKFLYFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-33(16-8-2-3-13-27(34)32-37)29(36)26(18-23-19-30-25-12-7-6-11-24(23)25)31-28(35)22-15-14-20-9-4-5-10-21(20)17-22/h4-7,9-12,14-15,17,23,26,30,37H,2-3,8,13,16,18-19H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide?
N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 4.06, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-indol-3-yl)-1-[[6-(hydroxyamino)-6-oxohexyl]-methylamino]-1-oxopropan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 89185485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).