4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide

C21H25NO4 — CID 108757532

IUPAC4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)NC2CCOc3ccc(C)cc32)cc1
InChIInChI=1S/C21H25NO4/c1-15-5-10-20-18(14-15)19(11-13-26-20)22-21(23)4-3-12-25-17-8-6-16(24-2)7-9-17/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,22,23)
InChIKeyDMWSQMUADGGKMH-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.80
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide

4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide (PubChem CID 108757532) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
PubChem CID108757532
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)NC2CCOc3ccc(C)cc32)cc1
InChIInChI=1S/C21H25NO4/c1-15-5-10-20-18(14-15)19(11-13-26-20)22-21(23)4-3-12-25-17-8-6-16(24-2)7-9-17/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,22,23)
InChIKeyDMWSQMUADGGKMH-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757448
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479797

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide (CID 108757532) is 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide is COc1ccc(OCCCC(=O)NC2CCOc3ccc(C)cc32)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The InChIKey is DMWSQMUADGGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-5-10-20-18(14-15)19(11-13-26-20)22-21(23)4-3-12-25-17-8-6-16(24-2)7-9-17/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide has a molecular weight of 355.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide is sourced from PubChem (CID 108757532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).