benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate

C25H22N2O3 — CID 53344092

IUPACbenzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate
SMILESCOc1cccc(NC(=O)OCc2ccccc2)c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C25H22N2O3/c1-29-22-13-7-12-21(27-25(28)30-16-17-8-3-2-4-9-17)24(22)23-19-11-6-5-10-18(19)14-15-20(23)26/h2-15H,16,26H2,1H3,(H,27,28)
InChIKeyZKMYEYGYMZJGMT-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.85
Rot. Bonds5

About benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate

benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate (PubChem CID 53344092) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate
PubChem CID53344092
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Namebenzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate
SMILESCOc1cccc(NC(=O)OCc2ccccc2)c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C25H22N2O3/c1-29-22-13-7-12-21(27-25(28)30-16-17-8-3-2-4-9-17)24(22)23-19-11-6-5-10-18(19)14-15-20(23)26/h2-15H,16,26H2,1H3,(H,27,28)
InChIKeyZKMYEYGYMZJGMT-UHFFFAOYSA-N
XLogP5.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-(2-aminonaphthalen-1-yl)-4-methoxyphenyl]carbamate
CID 53343709
benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate
CID 53343891
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
[2-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136158
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-bromophenyl)carbamate
CID 4935706
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
[8-(phenylmethoxycarbonylamino)naphthalen-2-yl] trifluoromethanesulfonate
CID 58862455
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate?
The IUPAC name of benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate (CID 53344092) is benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate is COc1cccc(NC(=O)OCc2ccccc2)c1-c1c(N)ccc2ccccc12.
What is the InChIKey of benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate?
The InChIKey is ZKMYEYGYMZJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-22-13-7-12-21(27-25(28)30-16-17-8-3-2-4-9-17)24(22)23-19-11-6-5-10-18(19)14-15-20(23)26/h2-15H,16,26H2,1H3,(H,27,28).
What are the key properties of benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate?
benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate has a molecular weight of 398.46 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate is sourced from PubChem (CID 53344092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).