N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C21H28N2O4 — CID 119440825

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C21H28N2O4/c1-5-22-14-16-8-6-7-9-17(16)23-19(24)13-11-15-10-12-18(25-2)21(27-4)20(15)26-3/h6-10,12,22H,5,11,13-14H2,1-4H3,(H,23,24)
InChIKeyIRQNLVRMJIGQID-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.39
Rot. Bonds10

About N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 119440825) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID119440825
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C21H28N2O4/c1-5-22-14-16-8-6-7-9-17(16)23-19(24)13-11-15-10-12-18(25-2)21(27-4)20(15)26-3/h6-10,12,22H,5,11,13-14H2,1-4H3,(H,23,24)
InChIKeyIRQNLVRMJIGQID-UHFFFAOYSA-N
XLogP3.39
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 119439282
N-(2-acetylphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089670
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55883007
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119439167
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
CID 1406221
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 119440825) is N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide is CCNCc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is IRQNLVRMJIGQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-22-14-16-8-6-7-9-17(16)23-19(24)13-11-15-10-12-18(25-2)21(27-4)20(15)26-3/h6-10,12,22H,5,11,13-14H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 119440825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).