2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate

C11H15N3O5 — CID 83210722

IUPAC2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
SMILESCOc1ccc([N+](=O)[O-])cc1CNCCOC(N)=O
InChIInChI=1S/C11H15N3O5/c1-18-10-3-2-9(14(16)17)6-8(10)7-13-4-5-19-11(12)15/h2-3,6,13H,4-5,7H2,1H3,(H2,12,15)
InChIKeyZOQPODHTGTVSAS-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.79
Rot. Bonds7

About 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate

2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate (PubChem CID 83210722) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
PubChem CID83210722
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
SMILESCOc1ccc([N+](=O)[O-])cc1CNCCOC(N)=O
InChIInChI=1S/C11H15N3O5/c1-18-10-3-2-9(14(16)17)6-8(10)7-13-4-5-19-11(12)15/h2-3,6,13H,4-5,7H2,1H3,(H2,12,15)
InChIKeyZOQPODHTGTVSAS-UHFFFAOYSA-N
XLogP0.79
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
ethyl 4-[(2-methoxy-5-nitrophenyl)methylamino]butanoate
CID 60677428
3-[2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83113340
2-but-3-enoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 106401992
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
CID 43329475
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
4,4,4-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]butan-1-amine
CID 115518236
2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanamide
CID 103913981
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate (CID 83210722) is 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate is COc1ccc([N+](=O)[O-])cc1CNCCOC(N)=O.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate?
The InChIKey is ZOQPODHTGTVSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-10-3-2-9(14(16)17)6-8(10)7-13-4-5-19-11(12)15/h2-3,6,13H,4-5,7H2,1H3,(H2,12,15).
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate?
2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate has a molecular weight of 269.26 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83210722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).