2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide

C29H29NO2 — CID 100781678

IUPAC2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO2/c1-4-29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28(31)30-26-19-20-27(32-21(2)3)25-18-12-11-17-24(25)26/h5-21H,4H2,1-3H3,(H,30,31)
InChIKeyYSEJNQKUBAAMNI-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.96
Rot. Bonds7

About 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide

2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide (PubChem CID 100781678) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
PubChem CID100781678
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO2/c1-4-29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28(31)30-26-19-20-27(32-21(2)3)25-18-12-11-17-24(25)26/h5-21H,4H2,1-3H3,(H,30,31)
InChIKeyYSEJNQKUBAAMNI-UHFFFAOYSA-N
XLogP6.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
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
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
CID 100782776
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
N-methyl-4-propan-2-yloxynaphthalen-1-amine
CID 82263217
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100777551

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide?
The IUPAC name of 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide (CID 100781678) is 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide.
What is the SMILES notation for 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide?
The canonical SMILES for 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide is CCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide?
The InChIKey is YSEJNQKUBAAMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2/c1-4-29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28(31)30-26-19-20-27(32-21(2)3)25-18-12-11-17-24(25)26/h5-21H,4H2,1-3H3,(H,30,31).
What are the key properties of 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide?
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide has a molecular weight of 423.56 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide is sourced from PubChem (CID 100781678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).