4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

C20H23NO3 — CID 46655099

IUPAC4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C20H23NO3/c1-2-3-13-23-16-10-8-15(9-11-16)20(22)21-18-12-14-24-19-7-5-4-6-17(18)19/h4-11,18H,2-3,12-14H2,1H3,(H,21,22)
InChIKeyOULQBXOBWISFTF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.12
Rot. Bonds6

About 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 46655099) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID46655099
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C20H23NO3/c1-2-3-13-23-16-10-8-15(9-11-16)20(22)21-18-12-14-24-19-7-5-4-6-17(18)19/h4-11,18H,2-3,12-14H2,1H3,(H,21,22)
InChIKeyOULQBXOBWISFTF-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.12
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-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757448
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39969204
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-[(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8927895
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
2-[2-(4-butoxyphenyl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111598438
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 46679708
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (CID 46655099) is 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is CCCCOc1ccc(C(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is OULQBXOBWISFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-3-13-23-16-10-8-15(9-11-16)20(22)21-18-12-14-24-19-7-5-4-6-17(18)19/h4-11,18H,2-3,12-14H2,1H3,(H,21,22).
What are the key properties of 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 46655099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).