2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride

C13H21ClN2O2 — CID 119295043

IUPAC2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCCN(C(=O)CN)C(C)c1cccc(OC)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-15(13(16)9-14)10(2)11-6-5-7-12(8-11)17-3;/h5-8,10H,4,9,14H2,1-3H3;1H
InChIKeyGDNZUGINYQWADO-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride

2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119295043) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID119295043
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCCN(C(=O)CN)C(C)c1cccc(OC)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-15(13(16)9-14)10(2)11-6-5-7-12(8-11)17-3;/h5-8,10H,4,9,14H2,1-3H3;1H
InChIKeyGDNZUGINYQWADO-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
CID 94345225
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94138885

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride (CID 119295043) is 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride is CCN(C(=O)CN)C(C)c1cccc(OC)c1.Cl.
What is the InChIKey of 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is GDNZUGINYQWADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-4-15(13(16)9-14)10(2)11-6-5-7-12(8-11)17-3;/h5-8,10H,4,9,14H2,1-3H3;1H.
What are the key properties of 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119295043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).