2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide

C21H27NO3 — CID 43905698

IUPAC2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-6-20(25-19-11-10-15(4)16(5)12-19)21(23)22-17-8-7-9-18(13-17)24-14(2)3/h7-14,20H,6H2,1-5H3,(H,22,23)
InChIKeyHALNRUSQSIBXGO-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.89
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide

2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 43905698) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
PubChem CID43905698
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-6-20(25-19-11-10-15(4)16(5)12-19)21(23)22-17-8-7-9-18(13-17)24-14(2)3/h7-14,20H,6H2,1-5H3,(H,22,23)
InChIKeyHALNRUSQSIBXGO-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
methyl 3-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94026950
ethyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94019557
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
N-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide (CID 43905698) is 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is HALNRUSQSIBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-20(25-19-11-10-15(4)16(5)12-19)21(23)22-17-8-7-9-18(13-17)24-14(2)3/h7-14,20H,6H2,1-5H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 43905698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).