N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline

C17H30N2O7Si — CID 58722749

IUPACN-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline
SMILESCCNc1cc([N+](=O)[O-])c(COCCCC[Si](OC)(OC)OC)cc1OC
InChIInChI=1S/C17H30N2O7Si/c1-6-18-15-12-16(19(20)21)14(11-17(15)22-2)13-26-9-7-8-10-27(23-3,24-4)25-5/h11-12,18H,6-10,13H2,1-5H3
InChIKeyRCDOIBWXXQVLRS-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.21
Rot. Bonds14

About N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline

N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline (PubChem CID 58722749) has the molecular formula C17H30N2O7Si and a molecular weight of 402.52 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline
PubChem CID58722749
Molecular FormulaC17H30N2O7Si
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC NameN-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline
SMILESCCNc1cc([N+](=O)[O-])c(COCCCC[Si](OC)(OC)OC)cc1OC
InChIInChI=1S/C17H30N2O7Si/c1-6-18-15-12-16(19(20)21)14(11-17(15)22-2)13-26-9-7-8-10-27(23-3,24-4)25-5/h11-12,18H,6-10,13H2,1-5H3
InChIKeyRCDOIBWXXQVLRS-UHFFFAOYSA-N
XLogP3.21
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline;rutherfordium
CID 89253894
[2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)anilino]methanone;rutherfordium
CID 89253867
4-[(3,4-dimethoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane
CID 89253844
4-[(4-ethoxy-2,3-dimethoxy-6-nitrophenyl)methoxy]butyl-trimethoxysilane
CID 58722747
4-[(5-methoxy-2-nitro-4-propoxyphenyl)methoxy]butane-1-thiol
CID 89253882
4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium
CID 89253843
N-ethyl-5-nitro-2,4-dipropoxyaniline
CID 96710244
4-[4-(hydroxymethyl)-2-methoxy-5-nitroanilino]butanoic acid
CID 154627504
(5-methoxy-2-nitro-4-pentoxyphenyl)methanamine
CID 43311550
4-[(4-ethoxy-2,3,5-trimethoxy-6-nitrophenyl)methoxy]butyl-trimethoxysilane
CID 58722769
N-ethyl-4-(2-methoxyethoxymethyl)-2-nitroaniline
CID 62194607
4,5-dimethoxy-2-nitro-N-(3-propoxypropyl)aniline
CID 83005885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline?
The IUPAC name of N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline (CID 58722749) is N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline.
What is the SMILES notation for N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline?
The canonical SMILES for N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline is CCNc1cc([N+](=O)[O-])c(COCCCC[Si](OC)(OC)OC)cc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline?
The InChIKey is RCDOIBWXXQVLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O7Si/c1-6-18-15-12-16(19(20)21)14(11-17(15)22-2)13-26-9-7-8-10-27(23-3,24-4)25-5/h11-12,18H,6-10,13H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline?
N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline has a molecular weight of 402.52 g/mol, XLogP of 3.21, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline is sourced from PubChem (CID 58722749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).