N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide

C25H41N3O5Si — CID 175311487

IUPACN-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide
SMILESCC(=O)C(c1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCOCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H41N3O5Si/c1-17(2)34(18(3)4,19(5)6)24(20(7)29)23-16-21(28(31)32)8-9-22(23)25(30)26-10-11-27-12-14-33-15-13-27/h8-9,16-19,24H,10-15H2,1-7H3,(H,26,30)
InChIKeyZJBXFQBRMJQMHA-UHFFFAOYSA-N
MW491.71 g/mol
LogP4.55
Rot. Bonds11

About N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide

N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide (PubChem CID 175311487) has the molecular formula C25H41N3O5Si and a molecular weight of 491.71 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide
PubChem CID175311487
Molecular FormulaC25H41N3O5Si
Molecular Weight491.71 g/mol
Exact Mass491.28
IUPAC NameN-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide
SMILESCC(=O)C(c1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCOCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H41N3O5Si/c1-17(2)34(18(3)4,19(5)6)24(20(7)29)23-16-21(28(31)32)8-9-22(23)25(30)26-10-11-27-12-14-33-15-13-27/h8-9,16-19,24H,10-15H2,1-7H3,(H,26,30)
InChIKeyZJBXFQBRMJQMHA-UHFFFAOYSA-N
XLogP4.55
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
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CID 26244501
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
CID 11743587
2,3,4-trifluoro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 110316989
1-(2-methyl-5-nitrophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8620220
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
CID 66745649
1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
CID 116541854

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide (CID 175311487) is N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide is CC(=O)C(c1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCOCC1)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide?
The InChIKey is ZJBXFQBRMJQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O5Si/c1-17(2)34(18(3)4,19(5)6)24(20(7)29)23-16-21(28(31)32)8-9-22(23)25(30)26-10-11-27-12-14-33-15-13-27/h8-9,16-19,24H,10-15H2,1-7H3,(H,26,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide?
N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide has a molecular weight of 491.71 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide is sourced from PubChem (CID 175311487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).