2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide

C23H31NO3 — CID 17079617

IUPAC2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C23H31NO3/c1-4-5-6-9-15-26-22-14-8-7-13-21(22)23(25)24-19-11-10-12-20(16-19)27-17-18(2)3/h7-8,10-14,16,18H,4-6,9,15,17H2,1-3H3,(H,24,25)
InChIKeySWOFRGHMUZJDEJ-UHFFFAOYSA-N
MW369.50 g/mol
LogP5.93
Rot. Bonds11

About 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide

2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17079617) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
PubChem CID17079617
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C23H31NO3/c1-4-5-6-9-15-26-22-14-8-7-13-21(22)23(25)24-19-11-10-12-20(16-19)27-17-18(2)3/h7-8,10-14,16,18H,4-6,9,15,17H2,1-3H3,(H,24,25)
InChIKeySWOFRGHMUZJDEJ-UHFFFAOYSA-N
XLogP5.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 55.93
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

N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
2-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide (CID 17079617) is 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is SWOFRGHMUZJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-5-6-9-15-26-22-14-8-7-13-21(22)23(25)24-19-11-10-12-20(16-19)27-17-18(2)3/h7-8,10-14,16,18H,4-6,9,15,17H2,1-3H3,(H,24,25).
What are the key properties of 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide?
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 369.50 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17079617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).