2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide

C18H22BrNO2 — CID 100751670

IUPAC2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c2ccccc12
InChIInChI=1S/C18H22BrNO2/c1-5-12(2)22-16-11-10-15(20-17(21)18(3,4)19)13-8-6-7-9-14(13)16/h6-12H,5H2,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyKAPMFWKMJBZRJN-LBPRGKRZSA-N
MW364.28 g/mol
LogP5.13
Rot. Bonds5

About 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide

2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide (PubChem CID 100751670) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
PubChem CID100751670
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC Name2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c2ccccc12
InChIInChI=1S/C18H22BrNO2/c1-5-12(2)22-16-11-10-15(20-17(21)18(3,4)19)13-8-6-7-9-14(13)16/h6-12H,5H2,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyKAPMFWKMJBZRJN-LBPRGKRZSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
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
2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
CID 133252242
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
CID 100781678
N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
CID 100760592
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
CID 133205372
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 133203978

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide (CID 100751670) is 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide is CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c2ccccc12.
What is the InChIKey of 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide?
The InChIKey is KAPMFWKMJBZRJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-5-12(2)22-16-11-10-15(20-17(21)18(3,4)19)13-8-6-7-9-14(13)16/h6-12H,5H2,1-4H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide?
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide has a molecular weight of 364.28 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide is sourced from PubChem (CID 100751670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).