2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide

C14H22N2O4 — CID 43545300

IUPAC2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
SMILESCOc1cc(C(C)NC(C)C(N)=O)cc(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-8(16-9(2)14(15)17)10-6-11(18-3)13(20-5)12(7-10)19-4/h6-9,16H,1-5H3,(H2,15,17)
InChIKeyYQUDRCOWKIUDLE-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.24
Rot. Bonds7

About 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide

2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide (PubChem CID 43545300) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
PubChem CID43545300
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
SMILESCOc1cc(C(C)NC(C)C(N)=O)cc(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-8(16-9(2)14(15)17)10-6-11(18-3)13(20-5)12(7-10)19-4/h6-9,16H,1-5H3,(H2,15,17)
InChIKeyYQUDRCOWKIUDLE-UHFFFAOYSA-N
XLogP1.24
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
CID 82993586
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
CID 107705454
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
[2-methoxy-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
CID 23378435
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide (CID 43545300) is 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide is COc1cc(C(C)NC(C)C(N)=O)cc(OC)c1OC.
What is the InChIKey of 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide?
The InChIKey is YQUDRCOWKIUDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8(16-9(2)14(15)17)10-6-11(18-3)13(20-5)12(7-10)19-4/h6-9,16H,1-5H3,(H2,15,17).
What are the key properties of 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide?
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide has a molecular weight of 282.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 43545300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).