N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide

C22H23NO2 — CID 3136143

IUPACN-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H23NO2/c1-14(2)16-8-10-18(11-9-16)22(23-15(3)24)21-19-7-5-4-6-17(19)12-13-20(21)25/h4-14,22,25H,1-3H3,(H,23,24)
InChIKeyLLPARWQLANGUEP-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.89
Rot. Bonds4

About N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide

N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 3136143) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID3136143
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H23NO2/c1-14(2)16-8-10-18(11-9-16)22(23-15(3)24)21-19-7-5-4-6-17(19)12-13-20(21)25/h4-14,22,25H,1-3H3,(H,23,24)
InChIKeyLLPARWQLANGUEP-UHFFFAOYSA-N
XLogP4.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide (CID 3136143) is N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide is CC(=O)NC(c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is LLPARWQLANGUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14(2)16-8-10-18(11-9-16)22(23-15(3)24)21-19-7-5-4-6-17(19)12-13-20(21)25/h4-14,22,25H,1-3H3,(H,23,24).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 3136143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).