N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide

C18H22N2O4 — CID 119625597

IUPACN-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(C(C)N)cc2)cc1OC
InChIInChI=1S/C18H22N2O4/c1-11(19)12-5-7-13(8-6-12)20-18(21)14-9-16(23-3)17(24-4)10-15(14)22-2/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyXYXYOPRXEIQWSH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.98
Rot. Bonds6

About N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide

N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide (PubChem CID 119625597) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
PubChem CID119625597
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(C(C)N)cc2)cc1OC
InChIInChI=1S/C18H22N2O4/c1-11(19)12-5-7-13(8-6-12)20-18(21)14-9-16(23-3)17(24-4)10-15(14)22-2/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyXYXYOPRXEIQWSH-UHFFFAOYSA-N
XLogP2.98
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
CID 43822918
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155964139
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide (CID 119625597) is N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(C(C)N)cc2)cc1OC.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide?
The InChIKey is XYXYOPRXEIQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(19)12-5-7-13(8-6-12)20-18(21)14-9-16(23-3)17(24-4)10-15(14)22-2/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide?
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 119625597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).