methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate

C14H20N2O6 — CID 108570777

IUPACmethyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H20N2O6/c1-19-10-7-9(8-11(20-2)12(10)21-3)13(17)15-5-6-16-14(18)22-4/h7-8H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyKBXUEBDLAIYVAR-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.80
Rot. Bonds7

About methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate (PubChem CID 108570777) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
PubChem CID108570777
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Namemethyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H20N2O6/c1-19-10-7-9(8-11(20-2)12(10)21-3)13(17)15-5-6-16-14(18)22-4/h7-8H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyKBXUEBDLAIYVAR-UHFFFAOYSA-N
XLogP0.80
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.80
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-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570771
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
tert-butyl N-[2-[(3,5-dimethoxy-4-prop-2-ynoxybenzoyl)amino]ethyl]carbamate
CID 175868125
N-[2-(2-bromoethoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 114309219

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate (CID 108570777) is methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate is COC(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
The InChIKey is KBXUEBDLAIYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-19-10-7-9(8-11(20-2)12(10)21-3)13(17)15-5-6-16-14(18)22-4/h7-8H,5-6H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate has a molecular weight of 312.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108570777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).