N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide

C26H39NO3 — CID 100760606

IUPACN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12
InChIInChI=1S/C26H39NO3/c1-8-20(7)30-24-15-14-23(21-12-10-11-13-22(21)24)27-25(28)26(29-9-2,16-18(3)4)17-19(5)6/h10-15,18-20H,8-9,16-17H2,1-7H3,(H,27,28)/t20-/m0/s1
InChIKeyVPHYMKDWJVGXHI-FQEVSTJZSA-N
MW413.60 g/mol
LogP6.82
Rot. Bonds11

About N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100760606) has the molecular formula C26H39NO3 and a molecular weight of 413.60 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100760606
Molecular FormulaC26H39NO3
Molecular Weight413.60 g/mol
Exact Mass413.29
IUPAC NameN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12
InChIInChI=1S/C26H39NO3/c1-8-20(7)30-24-15-14-23(21-12-10-11-13-22(21)24)27-25(28)26(29-9-2,16-18(3)4)17-19(5)6/h10-15,18-20H,8-9,16-17H2,1-7H3,(H,27,28)/t20-/m0/s1
InChIKeyVPHYMKDWJVGXHI-FQEVSTJZSA-N
XLogP6.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.60
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
CID 100760592
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100726213
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
CID 100761838
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
CID 100781678
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 133203978

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100760606) is N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide is CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is VPHYMKDWJVGXHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H39NO3/c1-8-20(7)30-24-15-14-23(21-12-10-11-13-22(21)24)27-25(28)26(29-9-2,16-18(3)4)17-19(5)6/h10-15,18-20H,8-9,16-17H2,1-7H3,(H,27,28)/t20-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 413.60 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100760606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).