4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide

C17H27NO2 — CID 100573271

IUPAC4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)N[C@H](C)C(C)C)cc1C(C)C
InChIInChI=1S/C17H27NO2/c1-10(2)13(6)18-17(19)15-9-14(11(3)4)16(20-7)8-12(15)5/h8-11,13H,1-7H3,(H,18,19)/t13-/m1/s1
InChIKeyKBMWSOYIZWUWSA-CYBMUJFWSA-N
MW277.41 g/mol
LogP3.90
Rot. Bonds5

About 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide (PubChem CID 100573271) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
PubChem CID100573271
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)N[C@H](C)C(C)C)cc1C(C)C
InChIInChI=1S/C17H27NO2/c1-10(2)13(6)18-17(19)15-9-14(11(3)4)16(20-7)8-12(15)5/h8-11,13H,1-7H3,(H,18,19)/t13-/m1/s1
InChIKeyKBMWSOYIZWUWSA-CYBMUJFWSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
CID 133250246
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716496
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide (CID 100573271) is 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)N[C@H](C)C(C)C)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide?
The InChIKey is KBMWSOYIZWUWSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-10(2)13(6)18-17(19)15-9-14(11(3)4)16(20-7)8-12(15)5/h8-11,13H,1-7H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 100573271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).