4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide

C17H27NO3 — CID 134028875

IUPAC4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-17(2,3)15-8-6-14(7-9-15)16(19)18-10-5-11-21-13-12-20-4/h6-9H,5,10-13H2,1-4H3,(H,18,19)
InChIKeyOIUOKKQTFVKBDZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.77
Rot. Bonds8

About 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide

4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 134028875) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
PubChem CID134028875
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-17(2,3)15-8-6-14(7-9-15)16(19)18-10-5-11-21-13-12-20-4/h6-9H,5,10-13H2,1-4H3,(H,18,19)
InChIKeyOIUOKKQTFVKBDZ-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
4-tert-butyl-N-nonylbenzamide
CID 4642451
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 134028875) is 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The InChIKey is OIUOKKQTFVKBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)15-8-6-14(7-9-15)16(19)18-10-5-11-21-13-12-20-4/h6-9H,5,10-13H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 134028875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).