3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide

C13H20N4O3 — CID 106233433

IUPAC3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCOCC(N)=O)cc1N
InChIInChI=1S/C13H20N4O3/c1-17(2)11-4-3-9(7-10(11)14)13(19)16-5-6-20-8-12(15)18/h3-4,7H,5-6,8,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyKPWLIFSIOHGADK-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.43
Rot. Bonds7

About 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide

3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide (PubChem CID 106233433) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
PubChem CID106233433
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCOCC(N)=O)cc1N
InChIInChI=1S/C13H20N4O3/c1-17(2)11-4-3-9(7-10(11)14)13(19)16-5-6-20-8-12(15)18/h3-4,7H,5-6,8,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyKPWLIFSIOHGADK-UHFFFAOYSA-N
XLogP-0.43
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332615
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
CID 106234375
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide (CID 106233433) is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCCOCC(N)=O)cc1N.
What is the InChIKey of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide?
The InChIKey is KPWLIFSIOHGADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17(2)11-4-3-9(7-10(11)14)13(19)16-5-6-20-8-12(15)18/h3-4,7H,5-6,8,14H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide?
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide has a molecular weight of 280.33 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 106233433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).