benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate

C29H23NO3 — CID 139241978

IUPACbenzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate
SMILESO=C(NC(c1cccc2ccccc12)c1c(O)ccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C29H23NO3/c31-26-18-17-22-12-5-7-15-24(22)27(26)28(25-16-8-13-21-11-4-6-14-23(21)25)30-29(32)33-19-20-9-2-1-3-10-20/h1-18,28,31H,19H2,(H,30,32)
InChIKeyWIMPUQGWTLOBSR-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.71
Rot. Bonds5

About benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate

benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate (PubChem CID 139241978) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate
PubChem CID139241978
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Namebenzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate
SMILESO=C(NC(c1cccc2ccccc12)c1c(O)ccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C29H23NO3/c31-26-18-17-22-12-5-7-15-24(22)27(26)28(25-16-8-13-21-11-4-6-14-23(21)25)30-29(32)33-19-20-9-2-1-3-10-20/h1-18,28,31H,19H2,(H,30,32)
InChIKeyWIMPUQGWTLOBSR-UHFFFAOYSA-N
XLogP6.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.71
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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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate?
The IUPAC name of benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate (CID 139241978) is benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate?
The canonical SMILES for benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate is O=C(NC(c1cccc2ccccc12)c1c(O)ccc2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate?
The InChIKey is WIMPUQGWTLOBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c31-26-18-17-22-12-5-7-15-24(22)27(26)28(25-16-8-13-21-11-4-6-14-23(21)25)30-29(32)33-19-20-9-2-1-3-10-20/h1-18,28,31H,19H2,(H,30,32).
What are the key properties of benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate?
benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate has a molecular weight of 433.51 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-hydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]carbamate is sourced from PubChem (CID 139241978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).