4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide

C15H21NO3 — CID 141195387

IUPAC4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C15H21NO3/c1-16(2)15(17)6-4-9-18-13-8-7-12-5-3-10-19-14(12)11-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyBNSWHCYLZWXAJI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds5

About 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide

4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide (PubChem CID 141195387) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
PubChem CID141195387
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C15H21NO3/c1-16(2)15(17)6-4-9-18-13-8-7-12-5-3-10-19-14(12)11-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyBNSWHCYLZWXAJI-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
CID 141195353
1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
CID 141195419
4-(3,4-dihydro-2H-chromen-6-yloxy)-1-pyrrol-1-ylbutan-1-one
CID 141195435
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
CID 141195466
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide
CID 83232033
6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene
CID 170004659
7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene
CID 142158583
ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566
4-(3,4-dihydro-2H-chromen-7-ylperoxyperoxy)benzoic acid
CID 141414839
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]butanoic acid
CID 142606333

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide (CID 141195387) is 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide is CN(C)C(=O)CCCOc1ccc2c(c1)OCCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide?
The InChIKey is BNSWHCYLZWXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(2)15(17)6-4-9-18-13-8-7-12-5-3-10-19-14(12)11-13/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide?
4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide is sourced from PubChem (CID 141195387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).