4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

C23H30N2O4 — CID 2932391

IUPAC4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCCC)c(OC)c2)cc1
InChIInChI=1S/C23H30N2O4/c1-4-6-8-22(26)25-20-14-11-18(16-21(20)28-3)24-23(27)17-9-12-19(13-10-17)29-15-7-5-2/h9-14,16H,4-8,15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyCMDFVLOFHMQMOV-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.26
Rot. Bonds11

About 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (PubChem CID 2932391) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
PubChem CID2932391
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCCC)c(OC)c2)cc1
InChIInChI=1S/C23H30N2O4/c1-4-6-8-22(26)25-20-14-11-18(16-21(20)28-3)24-23(27)17-9-12-19(13-10-17)29-15-7-5-2/h9-14,16H,4-8,15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyCMDFVLOFHMQMOV-UHFFFAOYSA-N
XLogP5.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17111386
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 3776414
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (CID 2932391) is 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCCC)c(OC)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The InChIKey is CMDFVLOFHMQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-6-8-22(26)25-20-14-11-18(16-21(20)28-3)24-23(27)17-9-12-19(13-10-17)29-15-7-5-2/h9-14,16H,4-8,15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 5.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is sourced from PubChem (CID 2932391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).