3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide

C15H23N3O5 — CID 146528382

IUPAC3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide
SMILESCNC(=O)COCCOC(N)COc1cccc(C(=O)NC)c1
InChIInChI=1S/C15H23N3O5/c1-17-14(19)10-21-6-7-22-13(16)9-23-12-5-3-4-11(8-12)15(20)18-2/h3-5,8,13H,6-7,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUCAJIRVWZDSELZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.51
Rot. Bonds10

About 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide

3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide (PubChem CID 146528382) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide
PubChem CID146528382
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide
SMILESCNC(=O)COCCOC(N)COc1cccc(C(=O)NC)c1
InChIInChI=1S/C15H23N3O5/c1-17-14(19)10-21-6-7-22-13(16)9-23-12-5-3-4-11(8-12)15(20)18-2/h3-5,8,13H,6-7,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUCAJIRVWZDSELZ-UHFFFAOYSA-N
XLogP-0.51
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
CID 167024259
N-[2-[(6-acetamido-2-formamidohexanoyl)amino]ethyl]-3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
CID 155699447
3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 153336638
3-[2-amino-2-[2-[2-(but-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-(2-aminoethyl)benzamide
CID 153336620
3-[2-amino-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 146260560
3-[2-amino-2-[2-[2-oxo-2-[2-[(E)-pent-2-enoxy]ethylamino]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 156841690
3-[2-amino-2-[2-(3-prop-2-ynoxypropoxy)ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 146499242
CID 153336637
CID 153336637
1-[2-[1-amino-2-[3-(3-aminopropyl)phenoxy]ethoxy]ethoxy]propan-2-one
CID 177339167
3-[2-azido-2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(tert-butylamino)ethyl]benzamide
CID 164792384
3-[2-azido-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 155048686
N-methyl-3-(3-methylbut-2-enoxy)benzamide
CID 86992210

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide?
The IUPAC name of 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide (CID 146528382) is 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide.
What is the SMILES notation for 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide?
The canonical SMILES for 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide is CNC(=O)COCCOC(N)COc1cccc(C(=O)NC)c1.
What is the InChIKey of 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide?
The InChIKey is UCAJIRVWZDSELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-17-14(19)10-21-6-7-22-13(16)9-23-12-5-3-4-11(8-12)15(20)18-2/h3-5,8,13H,6-7,9-10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide?
3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide has a molecular weight of 325.37 g/mol, XLogP of -0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-methylbenzamide is sourced from PubChem (CID 146528382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).