N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride

C14H22ClN3O3 — CID 119583859

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CNC(=O)COc1ccccc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-11(8-15)17(2)14(19)9-16-13(18)10-20-12-6-4-3-5-7-12;/h3-7,11H,8-10,15H2,1-2H3,(H,16,18);1H
InChIKeyXRKNDZVUVYVLEM-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.41
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride (PubChem CID 119583859) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
PubChem CID119583859
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CNC(=O)COc1ccccc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-11(8-15)17(2)14(19)9-16-13(18)10-20-12-6-4-3-5-7-12;/h3-7,11H,8-10,15H2,1-2H3,(H,16,18);1H
InChIKeyXRKNDZVUVYVLEM-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47163246
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propylacetamide
CID 30586947
N-(1-amino-2-methylpropan-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119523805
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119583326
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
CID 119582860

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride (CID 119583859) is N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride is CC(CN)N(C)C(=O)CNC(=O)COc1ccccc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
The InChIKey is XRKNDZVUVYVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-11(8-15)17(2)14(19)9-16-13(18)10-20-12-6-4-3-5-7-12;/h3-7,11H,8-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119583859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).