N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide

C26H23NO3 — CID 2787116

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C26H23NO3/c1-18-9-5-8-14-23(18)30-17-24(29)27-26(20-11-3-2-4-12-20)25-21-13-7-6-10-19(21)15-16-22(25)28/h2-16,26,28H,17H2,1H3,(H,27,29)
InChIKeyGLHCJQIWLUMVEM-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.14
Rot. Bonds6

About N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 2787116) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide
PubChem CID2787116
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C26H23NO3/c1-18-9-5-8-14-23(18)30-17-24(29)27-26(20-11-3-2-4-12-20)25-21-13-7-6-10-19(21)15-16-22(25)28/h2-16,26,28H,17H2,1H3,(H,27,29)
InChIKeyGLHCJQIWLUMVEM-UHFFFAOYSA-N
XLogP5.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.14
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-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
(Hydroxymethylphenyl)agomelatine
CID 9798456
Bedoradrine
CID 9963057
N-[2-(7-{10-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-decyloxy}-naphthalen-1-yl)-ethyl]-acetamide
CID 9873402
N-[2-(7-{6-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-hexyloxy}-naphthalen-1-yl)-ethyl]-acetamide
CID 9893513
N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-octyloxy}-naphthalen-1-yl)-ethyl]-acetamide
CID 9916005
N-[2-(7-{4-(4''-Hydroxymethylbiphenyl-4-yloxy}butoxy)-naphthalen-1-yl)ethyl]acetamide
CID 10163052
N-[2-(3H-Benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340632
Ono-AP-324
CID 9867828
N-benzyl-N-methyl-2-(2-naphthyloxy)acetamide
CID 833263
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2611417
N-[(2-hydroxy-1-naphthyl)(phenyl)methyl]butanamide
CID 2841424

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide (CID 2787116) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is GLHCJQIWLUMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-9-5-8-14-23(18)30-17-24(29)27-26(20-11-3-2-4-12-20)25-21-13-7-6-10-19(21)15-16-22(25)28/h2-16,26,28H,17H2,1H3,(H,27,29).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 397.47 g/mol, XLogP of 5.14, 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-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2787116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).