N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide

C28H31N5O6 — CID 137376563

IUPACN-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide
SMILESCN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O
InChIInChI=1S/C28H31N5O6/c1-30-27(35)25-24-21-16-20(39-15-12-31-10-13-38-14-11-31)6-7-22(21)33(23(24)8-9-32(25)28(30)36)17-18-2-4-19(5-3-18)26(34)29-37/h2-7,16,25,37H,8-15,17H2,1H3,(H,29,34)
InChIKeyLBNMWRLNTRVCOW-UHFFFAOYSA-N
MW533.59 g/mol
LogP2.01
Rot. Bonds7

About N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide

N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide (PubChem CID 137376563) has the molecular formula C28H31N5O6 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide
PubChem CID137376563
Molecular FormulaC28H31N5O6
Molecular Weight533.59 g/mol
Exact Mass533.23
IUPAC NameN-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide
SMILESCN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O
InChIInChI=1S/C28H31N5O6/c1-30-27(35)25-24-21-16-20(39-15-12-31-10-13-38-14-11-31)6-7-22(21)33(23(24)8-9-32(25)28(30)36)17-18-2-4-19(5-3-18)26(34)29-37/h2-7,16,25,37H,8-15,17H2,1H3,(H,29,34)
InChIKeyLBNMWRLNTRVCOW-UHFFFAOYSA-N
XLogP2.01
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
CID 118868576
N-hydroxy-4-[(14-methyl-13,15-dioxo-5-phenylmethoxy-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
CID 118884505
N-hydroxy-4-[(5-hydroxy-14-methyl-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]benzamide
CID 118884613
N-hydroxy-4-[(5-methoxy-14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
CID 118884679
N-hydroxy-4-[(5-methoxy-14-methyl-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]benzamide
CID 130238420
N-hydroxy-4-[(6-methoxy-14-methyl-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]benzamide
CID 130238474
N-hydroxy-4-[[14-methyl-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]benzamide;hydrochloride
CID 137638837
(R)-8-(3-(2-methylpyrrolidin-1-yl)propoxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16122898
(S)-N-(1-benzylpiperidin-4-yl)-2-((S)-8-methoxy-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)propanamide
CID 16401695
2-isopropyl-8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678214

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide (CID 137376563) is N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide is CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O.
What is the InChIKey of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide?
The InChIKey is LBNMWRLNTRVCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O6/c1-30-27(35)25-24-21-16-20(39-15-12-31-10-13-38-14-11-31)6-7-22(21)33(23(24)8-9-32(25)28(30)36)17-18-2-4-19(5-3-18)26(34)29-37/h2-7,16,25,37H,8-15,17H2,1H3,(H,29,34).
What are the key properties of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide?
N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide has a molecular weight of 533.59 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide is sourced from PubChem (CID 137376563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).