4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide

C23H29NO3 — CID 108757448

IUPAC4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)NC2CCOc3ccc(C)cc32)cc1
InChIInChI=1S/C23H29NO3/c1-3-4-5-6-14-26-19-10-8-18(9-11-19)23(25)24-21-13-15-27-22-12-7-17(2)16-20(21)22/h7-12,16,21H,3-6,13-15H2,1-2H3,(H,24,25)
InChIKeyAEPABBBILPVHIU-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.21
Rot. Bonds8

About 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide

4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 108757448) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID108757448
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)NC2CCOc3ccc(C)cc32)cc1
InChIInChI=1S/C23H29NO3/c1-3-4-5-6-14-26-19-10-8-18(9-11-19)23(25)24-21-13-15-27-22-12-7-17(2)16-20(21)22/h7-12,16,21H,3-6,13-15H2,1-2H3,(H,24,25)
InChIKeyAEPABBBILPVHIU-UHFFFAOYSA-N
XLogP5.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.21
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-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126784613
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide (CID 108757448) is 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide is CCCCCCOc1ccc(C(=O)NC2CCOc3ccc(C)cc32)cc1.
What is the InChIKey of 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is AEPABBBILPVHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-4-5-6-14-26-19-10-8-18(9-11-19)23(25)24-21-13-15-27-22-12-7-17(2)16-20(21)22/h7-12,16,21H,3-6,13-15H2,1-2H3,(H,24,25).
What are the key properties of 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 367.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 108757448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).