N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride

C13H20ClN3O4 — CID 119820030

IUPACN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-14-7-12(17)15-8-13(18)16-9-4-10(19-2)6-11(5-9)20-3;/h4-6,14H,7-8H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyQOCAWZYISJCOHA-UHFFFAOYSA-N
MW317.77 g/mol
LogP0.40
Rot. Bonds7

About N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119820030) has the molecular formula C13H20ClN3O4 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119820030
Molecular FormulaC13H20ClN3O4
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC NameN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-14-7-12(17)15-8-13(18)16-9-4-10(19-2)6-11(5-9)20-3;/h4-6,14H,7-8H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyQOCAWZYISJCOHA-UHFFFAOYSA-N
XLogP0.40
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119820020
N-[4-(3,5-dimethoxyphenoxy)phenyl]-2-(methylamino)acetamide
CID 154939563
(2S)-2-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119820034
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
CID 120705320
N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
CID 145028711
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
CID 3759124
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride (CID 119820030) is N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1.Cl.
What is the InChIKey of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is QOCAWZYISJCOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4.ClH/c1-14-7-12(17)15-8-13(18)16-9-4-10(19-2)6-11(5-9)20-3;/h4-6,14H,7-8H2,1-3H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119820030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).