N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide

C18H29NO3 — CID 100736672

IUPACN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
SMILESCCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1
InChIInChI=1S/C18H29NO3/c1-7-11-21-18(5,6)17(20)19-15-9-10-16(13(3)12-15)22-14(4)8-2/h9-10,12,14H,7-8,11H2,1-6H3,(H,19,20)/t14-/m1/s1
InChIKeyRJYOUBYQFSLFSC-CQSZACIVSA-N
MW307.43 g/mol
LogP4.32
Rot. Bonds8

About N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide

N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide (PubChem CID 100736672) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
PubChem CID100736672
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
SMILESCCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1
InChIInChI=1S/C18H29NO3/c1-7-11-21-18(5,6)17(20)19-15-9-10-16(13(3)12-15)22-14(4)8-2/h9-10,12,14H,7-8,11H2,1-6H3,(H,19,20)/t14-/m1/s1
InChIKeyRJYOUBYQFSLFSC-CQSZACIVSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
CID 133252242
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
N-(4-butan-2-yloxy-3-methylphenyl)-2,2,2-trichloroacetamide
CID 133245821
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100726213
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-ethoxy-2-methylpropanamide
CID 133246270
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide (CID 100736672) is N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide is CCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide?
The InChIKey is RJYOUBYQFSLFSC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-11-21-18(5,6)17(20)19-15-9-10-16(13(3)12-15)22-14(4)8-2/h9-10,12,14H,7-8,11H2,1-6H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide?
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide has a molecular weight of 307.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide is sourced from PubChem (CID 100736672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).