4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide

C23H31NO3 — CID 17141337

IUPAC4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C23H31NO3/c1-4-6-7-8-16-26-22-11-9-10-20(17-22)24-23(25)19-12-14-21(15-13-19)27-18(3)5-2/h9-15,17-18H,4-8,16H2,1-3H3,(H,24,25)
InChIKeyYTPNLYVKGLCBCS-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.08
Rot. Bonds11

About 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide

4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide (PubChem CID 17141337) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
PubChem CID17141337
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C23H31NO3/c1-4-6-7-8-16-26-22-11-9-10-20(17-22)24-23(25)19-12-14-21(15-13-19)27-18(3)5-2/h9-15,17-18H,4-8,16H2,1-3H3,(H,24,25)
InChIKeyYTPNLYVKGLCBCS-UHFFFAOYSA-N
XLogP6.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide (CID 17141337) is 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide is CCCCCCOc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide?
The InChIKey is YTPNLYVKGLCBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-6-7-8-16-26-22-11-9-10-20(17-22)24-23(25)19-12-14-21(15-13-19)27-18(3)5-2/h9-15,17-18H,4-8,16H2,1-3H3,(H,24,25).
What are the key properties of 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide?
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide has a molecular weight of 369.51 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide is sourced from PubChem (CID 17141337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).