benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate

C26H23NO4 — CID 139241977

IUPACbenzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1C(NC(=O)OCc1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C26H23NO4/c1-30-23-14-8-7-13-21(23)25(27-26(29)31-17-18-9-3-2-4-10-18)24-20-12-6-5-11-19(20)15-16-22(24)28/h2-16,25,28H,17H2,1H3,(H,27,29)
InChIKeyBRHKMXYDSYTPEU-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.57
Rot. Bonds6

About benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate

benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate (PubChem CID 139241977) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate
PubChem CID139241977
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Namebenzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1C(NC(=O)OCc1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C26H23NO4/c1-30-23-14-8-7-13-21(23)25(27-26(29)31-17-18-9-3-2-4-10-18)24-20-12-6-5-11-19(20)15-16-22(24)28/h2-16,25,28H,17H2,1H3,(H,27,29)
InChIKeyBRHKMXYDSYTPEU-UHFFFAOYSA-N
XLogP5.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate (CID 139241977) is benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate is COc1ccccc1C(NC(=O)OCc1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate?
The InChIKey is BRHKMXYDSYTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-30-23-14-8-7-13-21(23)25(27-26(29)31-17-18-9-3-2-4-10-18)24-20-12-6-5-11-19(20)15-16-22(24)28/h2-16,25,28H,17H2,1H3,(H,27,29).
What are the key properties of benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate?
benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate has a molecular weight of 413.47 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 139241977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).