3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride

C14H22ClN3O2 — CID 119269153

IUPAC3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-6-10(2)14(11(3)7-9)17-13(19)8-16-12(18)4-5-15;/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyZDCSMRHEKAKBGV-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.44
Rot. Bonds5

About 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride

3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride (PubChem CID 119269153) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
PubChem CID119269153
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-6-10(2)14(11(3)7-9)17-13(19)8-16-12(18)4-5-15;/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyZDCSMRHEKAKBGV-UHFFFAOYSA-N
XLogP1.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
(2S)-2-amino-3,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide;hydrochloride
CID 119685639
2-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]sulfanylacetic acid
CID 120770556
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 8676937
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 30867383
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride (CID 119269153) is 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride is Cc1cc(C)c(NC(=O)CNC(=O)CCN)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride?
The InChIKey is ZDCSMRHEKAKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9-6-10(2)14(11(3)7-9)17-13(19)8-16-12(18)4-5-15;/h6-7H,4-5,8,15H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride?
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119269153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).