2,6-dibutoxy-N-(2-phenylethyl)benzamide

C23H31NO3 — CID 3790486

IUPAC2,6-dibutoxy-N-(2-phenylethyl)benzamide
SMILESCCCCOc1cccc(OCCCC)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H31NO3/c1-3-5-17-26-20-13-10-14-21(27-18-6-4-2)22(20)23(25)24-16-15-19-11-8-7-9-12-19/h7-14H,3-6,15-18H2,1-2H3,(H,24,25)
InChIKeyRJEKFQRINIUDRG-UHFFFAOYSA-N
MW369.50 g/mol
LogP5.02
Rot. Bonds12

About 2,6-dibutoxy-N-(2-phenylethyl)benzamide

2,6-dibutoxy-N-(2-phenylethyl)benzamide (PubChem CID 3790486) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is 2,6-dibutoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,6-dibutoxy-N-(2-phenylethyl)benzamide
PubChem CID3790486
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name2,6-dibutoxy-N-(2-phenylethyl)benzamide
SMILESCCCCOc1cccc(OCCCC)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H31NO3/c1-3-5-17-26-20-13-10-14-21(27-18-6-4-2)22(20)23(25)24-16-15-19-11-8-7-9-12-19/h7-14H,3-6,15-18H2,1-2H3,(H,24,25)
InChIKeyRJEKFQRINIUDRG-UHFFFAOYSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 55.02
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

2,4,6-tridodecoxy-3,5-bis(2-phenylethylcarbamoyl)benzoic acid
CID 101242341
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
2-phenylethyl 2-butoxybenzoate
CID 141306389
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
butyl (3S)-3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 165343799
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
[2-[(2-benzoyl-3-butoxyphenyl)methyl]-6-butoxyphenyl]-phenylmethanone
CID 101304169
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,6-dibutoxy-N-(2-phenylethyl)benzamide (CID 3790486) is 2,6-dibutoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,6-dibutoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,6-dibutoxy-N-(2-phenylethyl)benzamide is CCCCOc1cccc(OCCCC)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 2,6-dibutoxy-N-(2-phenylethyl)benzamide?
The InChIKey is RJEKFQRINIUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-3-5-17-26-20-13-10-14-21(27-18-6-4-2)22(20)23(25)24-16-15-19-11-8-7-9-12-19/h7-14H,3-6,15-18H2,1-2H3,(H,24,25).
What are the key properties of 2,6-dibutoxy-N-(2-phenylethyl)benzamide?
2,6-dibutoxy-N-(2-phenylethyl)benzamide has a molecular weight of 369.50 g/mol, XLogP of 5.02, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3790486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).