1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate

C14H20N2O7 — CID 168725746

IUPAC1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OC(C)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O7/c1-9(23-14(17)15-2)10-7-12(21-4)13(22-6-5-20-3)8-11(10)16(18)19/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKeyUZZGRQZOGCCOKT-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.05
Rot. Bonds8

About 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate

1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate (PubChem CID 168725746) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate
PubChem CID168725746
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OC(C)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O7/c1-9(23-14(17)15-2)10-7-12(21-4)13(22-6-5-20-3)8-11(10)16(18)19/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKeyUZZGRQZOGCCOKT-UHFFFAOYSA-N
XLogP2.05
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-methoxy-4-[4-(methylamino)-4-oxobutoxy]-2-nitrophenyl]ethyl N-methylcarbamate
CID 166938665
1-[4-(2,2-dimethylpropoxy)-5-methoxy-2-nitrophenyl]ethyl N-tert-butylcarbamate
CID 167353357
2-[2-methoxy-4-[1-(methylamino)ethyl]-5-nitrophenoxy]-N-methylacetamide
CID 122547579
1-methoxy-5-[1-[methoxy(methyl)phosphoryl]oxyethyl]-2-[3-[methoxy(methyl)phosphoryl]oxypropoxy]-4-nitrobenzene
CID 58840403
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanamide
CID 143819492
methyl 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butanoate;hydrochloride
CID 127255383
1-(4,5-dimethoxy-2-nitrophenyl)ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14523309
1-(4,5-dimethoxy-2-nitrophenyl)ethyl 5-trimethoxysilylpentanoate
CID 102027643
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
CID 143593271
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate?
The IUPAC name of 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate (CID 168725746) is 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate?
The canonical SMILES for 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate is CNC(=O)OC(C)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-].
What is the InChIKey of 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate?
The InChIKey is UZZGRQZOGCCOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7/c1-9(23-14(17)15-2)10-7-12(21-4)13(22-6-5-20-3)8-11(10)16(18)19/h7-9H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate?
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate has a molecular weight of 328.32 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 168725746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).