N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide

C23H39NO3 — CID 100726213

IUPACN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1
InChIInChI=1S/C23H39NO3/c1-9-19(8)27-21-12-11-20(13-18(21)7)24-22(25)23(26-10-2,14-16(3)4)15-17(5)6/h11-13,16-17,19H,9-10,14-15H2,1-8H3,(H,24,25)/t19-/m1/s1
InChIKeyAOFOLHBSMCEGCM-LJQANCHMSA-N
MW377.57 g/mol
LogP5.98
Rot. Bonds11

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

N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100726213) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100726213
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC NameN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1
InChIInChI=1S/C23H39NO3/c1-9-19(8)27-21-12-11-20(13-18(21)7)24-22(25)23(26-10-2,14-16(3)4)15-17(5)6/h11-13,16-17,19H,9-10,14-15H2,1-8H3,(H,24,25)/t19-/m1/s1
InChIKeyAOFOLHBSMCEGCM-LJQANCHMSA-N
XLogP5.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
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
2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
CID 133252242
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
CID 100736672
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
CID 100725725

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100726213) is N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide is CCOC(CC(C)C)(CC(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-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is AOFOLHBSMCEGCM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H39NO3/c1-9-19(8)27-21-12-11-20(13-18(21)7)24-22(25)23(26-10-2,14-16(3)4)15-17(5)6/h11-13,16-17,19H,9-10,14-15H2,1-8H3,(H,24,25)/t19-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 377.57 g/mol, XLogP of 5.98, 11 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-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100726213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).