N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride

C13H20ClN3O3 — CID 119713905

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(OCC(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-14-8-12(17)15-10-5-4-6-11(7-10)19-9-13(18)16(2)3;/h4-7,14H,8-9H2,1-3H3,(H,15,17);1H
InChIKeyHYFLDNIHUYJCRB-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.73
Rot. Bonds6

About N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119713905) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119713905
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(OCC(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-14-8-12(17)15-10-5-4-6-11(7-10)19-9-13(18)16(2)3;/h4-7,14H,8-9H2,1-3H3,(H,15,17);1H
InChIKeyHYFLDNIHUYJCRB-UHFFFAOYSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide
CID 47064189
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 87005827
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621139
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87005818
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119713905) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1cccc(OCC(=O)N(C)C)c1.Cl.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is HYFLDNIHUYJCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-14-8-12(17)15-10-5-4-6-11(7-10)19-9-13(18)16(2)3;/h4-7,14H,8-9H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119713905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).