N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide

C28H24N4O4 — CID 177379342

IUPACN-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide
SMILESCN1C(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](c3ccccc3)(C2)C1=O
InChIInChI=1S/C28H24N4O4/c1-30-26(34)28(20-7-3-2-4-8-20)17-31(27(30)35)16-23-24(28)21-9-5-6-10-22(21)32(23)15-18-11-13-19(14-12-18)25(33)29-36/h2-14,36H,15-17H2,1H3,(H,29,33)/t28-/m0/s1
InChIKeyIRKQLOCVTRWOQK-NDEPHWFRSA-N
MW480.52 g/mol
LogP3.50
Rot. Bonds4

About N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide

N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide (PubChem CID 177379342) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide
PubChem CID177379342
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC NameN-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide
SMILESCN1C(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](c3ccccc3)(C2)C1=O
InChIInChI=1S/C28H24N4O4/c1-30-26(34)28(20-7-3-2-4-8-20)17-31(27(30)35)16-23-24(28)21-9-5-6-10-22(21)32(23)15-18-11-13-19(14-12-18)25(33)29-36/h2-14,36H,15-17H2,1H3,(H,29,33)/t28-/m0/s1
InChIKeyIRKQLOCVTRWOQK-NDEPHWFRSA-N
XLogP3.50
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide with MolForge

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Related Compounds

4-[[1,14-dimethyl-5-(2-morpholin-4-ylethoxy)-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl]methyl]-N-hydroxybenzamide
CID 177379343
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657
1-fluoro-2-hydroperoxyethyne;N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 53394750
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
N-hydroxy-4-[(6-methyl-4,7-dioxo-3,6,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),13,15,17-tetraen-19-yl)methyl]benzamide
CID 130265519
4-[(2-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)methyl]-N-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 56950703
N-hydroxy-4-[(2-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 163280305
N-hydroxy-4-[[2-(4-propylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzamide
CID 162517986
4-[[2-[2-(2-aminoethoxy)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
CID 164771737
9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 130265690

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide (CID 177379342) is N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide is CN1C(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](c3ccccc3)(C2)C1=O.
What is the InChIKey of N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide?
The InChIKey is IRKQLOCVTRWOQK-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-30-26(34)28(20-7-3-2-4-8-20)17-31(27(30)35)16-23-24(28)21-9-5-6-10-22(21)32(23)15-18-11-13-19(14-12-18)25(33)29-36/h2-14,36H,15-17H2,1H3,(H,29,33)/t28-/m0/s1.
What are the key properties of N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide?
N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide has a molecular weight of 480.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(1S)-14-methyl-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl]methyl]benzamide is sourced from PubChem (CID 177379342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).