N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide

C29H23NO3 — CID 19165242

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C29H23NO3/c31-26-17-15-21-9-6-7-13-25(21)28(26)29(22-10-2-1-3-11-22)30-27(32)19-33-24-16-14-20-8-4-5-12-23(20)18-24/h1-18,29,31H,19H2,(H,30,32)
InChIKeyRZMTWOZOKLPABY-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.98
Rot. Bonds6

About N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 19165242) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID19165242
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C29H23NO3/c31-26-17-15-21-9-6-7-13-25(21)28(26)29(22-10-2-1-3-11-22)30-27(32)19-33-24-16-14-20-8-4-5-12-23(20)18-24/h1-18,29,31H,19H2,(H,30,32)
InChIKeyRZMTWOZOKLPABY-UHFFFAOYSA-N
XLogP5.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide
CID 2897625
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2195570
N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2944649
4-(4-tert-butylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
CID 19173596
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 42927482

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide (CID 19165242) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is RZMTWOZOKLPABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c31-26-17-15-21-9-6-7-13-25(21)28(26)29(22-10-2-1-3-11-22)30-27(32)19-33-24-16-14-20-8-4-5-12-23(20)18-24/h1-18,29,31H,19H2,(H,30,32).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 433.51 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 19165242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).