N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

C14H23ClN2O4 — CID 119503323

IUPACN-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCNCCNC(=O)Cc1cc(OC)c(OC)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-15-5-6-16-13(17)9-10-7-11(18-2)14(20-4)12(8-10)19-3;/h7-8,15H,5-6,9H2,1-4H3,(H,16,17);1H
InChIKeyBAPUZLNNQFMXKJ-UHFFFAOYSA-N
MW318.80 g/mol
LogP1.01
Rot. Bonds8

About N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (PubChem CID 119503323) has the molecular formula C14H23ClN2O4 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
PubChem CID119503323
Molecular FormulaC14H23ClN2O4
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC NameN-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCNCCNC(=O)Cc1cc(OC)c(OC)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-15-5-6-16-13(17)9-10-7-11(18-2)14(20-4)12(8-10)19-3;/h7-8,15H,5-6,9H2,1-4H3,(H,16,17);1H
InChIKeyBAPUZLNNQFMXKJ-UHFFFAOYSA-N
XLogP1.01
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 51.01
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

N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
CID 8919196
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56823979
2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
CID 119502745
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (CID 119503323) is N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is CNCCNC(=O)Cc1cc(OC)c(OC)c(OC)c1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is BAPUZLNNQFMXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4.ClH/c1-15-5-6-16-13(17)9-10-7-11(18-2)14(20-4)12(8-10)19-3;/h7-8,15H,5-6,9H2,1-4H3,(H,16,17);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119503323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).