butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate

C17H26N2O4 — CID 51252606

IUPACbutyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NCC(=O)NC(C)COC)cc1
InChIInChI=1S/C17H26N2O4/c1-4-5-10-23-17(21)14-6-8-15(9-7-14)18-11-16(20)19-13(2)12-22-3/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyXXBYDSJZIVGLLI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.21
Rot. Bonds10

About butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate

butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate (PubChem CID 51252606) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate
PubChem CID51252606
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Namebutyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NCC(=O)NC(C)COC)cc1
InChIInChI=1S/C17H26N2O4/c1-4-5-10-23-17(21)14-6-8-15(9-7-14)18-11-16(20)19-13(2)12-22-3/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyXXBYDSJZIVGLLI-UHFFFAOYSA-N
XLogP2.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
CID 60685420
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-(propanoylcarbamothioylamino)benzoate
CID 59787010
butyl 4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 9084232
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
butyl 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 9084168
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023
butyl 4-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzoate
CID 26507517
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
propyl 4-[[2-(4-hexoxyanilino)acetyl]amino]benzoate
CID 54820609

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate (CID 51252606) is butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate is CCCCOC(=O)c1ccc(NCC(=O)NC(C)COC)cc1.
What is the InChIKey of butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is XXBYDSJZIVGLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-5-10-23-17(21)14-6-8-15(9-7-14)18-11-16(20)19-13(2)12-22-3/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate?
butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 322.41 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 51252606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).