2-amino-N-ethyl-3,4,5-trimethoxybenzamide

C12H18N2O4 — CID 18711859

IUPAC2-amino-N-ethyl-3,4,5-trimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)c(OC)c(OC)c1N
InChIInChI=1S/C12H18N2O4/c1-5-14-12(15)7-6-8(16-2)10(17-3)11(18-4)9(7)13/h6H,5,13H2,1-4H3,(H,14,15)
InChIKeyTZQVIAKHHZNFMR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-N-ethyl-3,4,5-trimethoxybenzamide

2-amino-N-ethyl-3,4,5-trimethoxybenzamide (PubChem CID 18711859) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,4,5-trimethoxybenzamide
PubChem CID18711859
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-N-ethyl-3,4,5-trimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)c(OC)c(OC)c1N
InChIInChI=1S/C12H18N2O4/c1-5-14-12(15)7-6-8(16-2)10(17-3)11(18-4)9(7)13/h6H,5,13H2,1-4H3,(H,14,15)
InChIKeyTZQVIAKHHZNFMR-UHFFFAOYSA-N
XLogP1.04
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110181256
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 138006324
2-oxopropyl 2-amino-3,4,5-trimethoxybenzoate
CID 101009233
2-amino-4-butoxy-N-ethyl-3-methoxybenzamide
CID 162701414
N-butyl-3,4,5-trimethoxy-2-nitrobenzamide
CID 36711009
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
2-amino-N-ethyl-3-methoxy-4-phenylmethoxybenzamide
CID 154973812
N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 110182047
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-amino-N-ethyl-3,4,5-trimethoxybenzamide (CID 18711859) is 2-amino-N-ethyl-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-amino-N-ethyl-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-amino-N-ethyl-3,4,5-trimethoxybenzamide is CCNC(=O)c1cc(OC)c(OC)c(OC)c1N.
What is the InChIKey of 2-amino-N-ethyl-3,4,5-trimethoxybenzamide?
The InChIKey is TZQVIAKHHZNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-14-12(15)7-6-8(16-2)10(17-3)11(18-4)9(7)13/h6H,5,13H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-N-ethyl-3,4,5-trimethoxybenzamide?
2-amino-N-ethyl-3,4,5-trimethoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 18711859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).