4-phenoxy-3-propan-2-yloxybenzamide

C16H17NO3 — CID 174415325

IUPAC4-phenoxy-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1Oc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11(2)19-15-10-12(16(17)18)8-9-14(15)20-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18)
InChIKeyIGTWBHFRKLRZSW-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.37
Rot. Bonds5

About 4-phenoxy-3-propan-2-yloxybenzamide

4-phenoxy-3-propan-2-yloxybenzamide (PubChem CID 174415325) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-phenoxy-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-phenoxy-3-propan-2-yloxybenzamide
PubChem CID174415325
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-phenoxy-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1Oc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11(2)19-15-10-12(16(17)18)8-9-14(15)20-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18)
InChIKeyIGTWBHFRKLRZSW-UHFFFAOYSA-N
XLogP3.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-3-propan-2-yloxyaniline
CID 18616750
3,4-diphenoxybenzoic acid
CID 70590459
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
CID 155743488
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
CID 175553147
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
CID 90017256
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454
2-phenoxyethyl 3-bromo-4-propan-2-yloxybenzoate
CID 23012974
4-[2-[(1R)-1-hydroxyethyl]phenoxy]benzamide
CID 55182876
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide
CID 151516900

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-3-propan-2-yloxybenzamide?
The IUPAC name of 4-phenoxy-3-propan-2-yloxybenzamide (CID 174415325) is 4-phenoxy-3-propan-2-yloxybenzamide.
What is the SMILES notation for 4-phenoxy-3-propan-2-yloxybenzamide?
The canonical SMILES for 4-phenoxy-3-propan-2-yloxybenzamide is CC(C)Oc1cc(C(N)=O)ccc1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-3-propan-2-yloxybenzamide?
The InChIKey is IGTWBHFRKLRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)19-15-10-12(16(17)18)8-9-14(15)20-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18).
What are the key properties of 4-phenoxy-3-propan-2-yloxybenzamide?
4-phenoxy-3-propan-2-yloxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-3-propan-2-yloxybenzamide is sourced from PubChem (CID 174415325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).