4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide

C17H26N2O3 — CID 35513820

IUPAC4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOCCCNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)14-8-6-13(7-9-14)16(21)19-12-15(20)18-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyNLSKJKFXMWACSG-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.87
Rot. Bonds7

About 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide (PubChem CID 35513820) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
PubChem CID35513820
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOCCCNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)14-8-6-13(7-9-14)16(21)19-12-15(20)18-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyNLSKJKFXMWACSG-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513841
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
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4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide (CID 35513820) is 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide is COCCCNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is NLSKJKFXMWACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)14-8-6-13(7-9-14)16(21)19-12-15(20)18-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35513820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).