3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide

C16H24N2O4 — CID 87024121

IUPAC3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide
SMILESCC(C)CCOCCNC(=O)COc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O4/c1-12(2)6-8-21-9-7-18-15(19)11-22-14-5-3-4-13(10-14)16(17)20/h3-5,10,12H,6-9,11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQDPOIENZRQGWHX-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.34
Rot. Bonds10

About 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide

3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide (PubChem CID 87024121) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide
PubChem CID87024121
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide
SMILESCC(C)CCOCCNC(=O)COc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O4/c1-12(2)6-8-21-9-7-18-15(19)11-22-14-5-3-4-13(10-14)16(17)20/h3-5,10,12H,6-9,11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQDPOIENZRQGWHX-UHFFFAOYSA-N
XLogP1.34
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
CID 54956323
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 60529897
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
CID 55917606
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119504319
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 55680949
2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 60529536

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide (CID 87024121) is 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide is CC(C)CCOCCNC(=O)COc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide?
The InChIKey is QDPOIENZRQGWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(2)6-8-21-9-7-18-15(19)11-22-14-5-3-4-13(10-14)16(17)20/h3-5,10,12H,6-9,11H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide?
3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 87024121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).