2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

C21H27NO3 — CID 132761053

IUPAC2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H27NO3/c1-6-19(25-17-11-8-10-16(13-17)24-5)21(23)22-20-15(4)9-7-12-18(20)14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)
InChIKeyDBXMQRPSZFRNDV-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.92
Rot. Bonds7

About 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (PubChem CID 132761053) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
PubChem CID132761053
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H27NO3/c1-6-19(25-17-11-8-10-16(13-17)24-5)21(23)22-20-15(4)9-7-12-18(20)14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)
InChIKeyDBXMQRPSZFRNDV-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132760693
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92673239
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233331
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (CID 132761053) is 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide is CCC(Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The InChIKey is DBXMQRPSZFRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-19(25-17-11-8-10-16(13-17)24-5)21(23)22-20-15(4)9-7-12-18(20)14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23).
What are the key properties of 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 132761053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).