N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide

C21H26N2O7 — CID 108538120

IUPACN-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCNC(=O)c2c(OC)cccc2OC)cc(OC)c1OC
InChIInChI=1S/C21H26N2O7/c1-26-14-7-6-8-15(27-2)18(14)21(25)23-10-9-22-20(24)13-11-16(28-3)19(30-5)17(12-13)29-4/h6-8,11-12H,9-10H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyPMJUBPKECVCNGJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.89
Rot. Bonds10

About N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide

N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 108538120) has the molecular formula C21H26N2O7 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
PubChem CID108538120
Molecular FormulaC21H26N2O7
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC NameN-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCNC(=O)c2c(OC)cccc2OC)cc(OC)c1OC
InChIInChI=1S/C21H26N2O7/c1-26-14-7-6-8-15(27-2)18(14)21(25)23-10-9-22-20(24)13-11-16(28-3)19(30-5)17(12-13)29-4/h6-8,11-12H,9-10H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyPMJUBPKECVCNGJ-UHFFFAOYSA-N
XLogP1.89
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[2-[(3-bromophenyl)methylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 3385993
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide (CID 108538120) is N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCNC(=O)c2c(OC)cccc2OC)cc(OC)c1OC.
What is the InChIKey of N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is PMJUBPKECVCNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7/c1-26-14-7-6-8-15(27-2)18(14)21(25)23-10-9-22-20(24)13-11-16(28-3)19(30-5)17(12-13)29-4/h6-8,11-12H,9-10H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide?
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 418.45 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 108538120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).