2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate

C13H20N2O5 — CID 83210035

IUPAC2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
SMILESCOc1cc(OC)c(OC)cc1CNCCOC(N)=O
InChIInChI=1S/C13H20N2O5/c1-17-10-7-12(19-3)11(18-2)6-9(10)8-15-4-5-20-13(14)16/h6-7,15H,4-5,8H2,1-3H3,(H2,14,16)
InChIKeySIKSDHORYSWHPP-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.90
Rot. Bonds8

About 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate

2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate (PubChem CID 83210035) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
PubChem CID83210035
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
SMILESCOc1cc(OC)c(OC)cc1CNCCOC(N)=O
InChIInChI=1S/C13H20N2O5/c1-17-10-7-12(19-3)11(18-2)6-9(10)8-15-4-5-20-13(14)16/h6-7,15H,4-5,8H2,1-3H3,(H2,14,16)
InChIKeySIKSDHORYSWHPP-UHFFFAOYSA-N
XLogP0.90
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 16773062
2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
CID 83210722
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl carbamate
CID 83210615
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925
2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxyphenyl]methylamino]ethyl carbamate
CID 106789955
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721310
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate (CID 83210035) is 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate is COc1cc(OC)c(OC)cc1CNCCOC(N)=O.
What is the InChIKey of 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate?
The InChIKey is SIKSDHORYSWHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-17-10-7-12(19-3)11(18-2)6-9(10)8-15-4-5-20-13(14)16/h6-7,15H,4-5,8H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate?
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate has a molecular weight of 284.31 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83210035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).