N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide

C15H24N4O3 — CID 93216697

IUPACN-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(N)c(OCCN(C)C)c1
InChIInChI=1S/C15H24N4O3/c1-11(20)17-6-7-18-15(21)12-4-5-13(16)14(10-12)22-9-8-19(2)3/h4-5,10H,6-9,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyMNYLBJZZSYBIGI-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.08
Rot. Bonds8

About N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide

N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 93216697) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
PubChem CID93216697
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(N)c(OCCN(C)C)c1
InChIInChI=1S/C15H24N4O3/c1-11(20)17-6-7-18-15(21)12-4-5-13(16)14(10-12)22-9-8-19(2)3/h4-5,10H,6-9,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyMNYLBJZZSYBIGI-UHFFFAOYSA-N
XLogP0.08
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.08
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

N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
CID 82070052
4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070067
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
CID 106333049
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide (CID 93216697) is N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide is CC(=O)NCCNC(=O)c1ccc(N)c(OCCN(C)C)c1.
What is the InChIKey of N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is MNYLBJZZSYBIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(20)17-6-7-18-15(21)12-4-5-13(16)14(10-12)22-9-8-19(2)3/h4-5,10H,6-9,16H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide?
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 308.38 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 93216697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).