N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide

C14H20N2O5 — CID 110764655

IUPACN-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCCNC(C)=O)c(OC)c1
InChIInChI=1S/C14H20N2O5/c1-9(17)15-5-6-16-14(18)13-11(20-3)7-10(19-2)8-12(13)21-4/h7-8H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyYXOZURYJMSHZJV-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.58
Rot. Bonds7

About N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide

N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide (PubChem CID 110764655) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
PubChem CID110764655
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCCNC(C)=O)c(OC)c1
InChIInChI=1S/C14H20N2O5/c1-9(17)15-5-6-16-14(18)13-11(20-3)7-10(19-2)8-12(13)21-4/h7-8H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyYXOZURYJMSHZJV-UHFFFAOYSA-N
XLogP0.58
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide?
The IUPAC name of N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide (CID 110764655) is N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide is COc1cc(OC)c(C(=O)NCCNC(C)=O)c(OC)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide?
The InChIKey is YXOZURYJMSHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(17)15-5-6-16-14(18)13-11(20-3)7-10(19-2)8-12(13)21-4/h7-8H,5-6H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide?
N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide has a molecular weight of 296.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide is sourced from PubChem (CID 110764655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).