benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate

C20H18N2O4 — CID 4935803

IUPACbenzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-19(21-22-20(24)26-13-15-6-2-1-3-7-15)14-25-18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,23)(H,22,24)
InChIKeyKZSQJVBSCREUND-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.18
Rot. Bonds5

About benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate

benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate (PubChem CID 4935803) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
PubChem CID4935803
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namebenzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-19(21-22-20(24)26-13-15-6-2-1-3-7-15)14-25-18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,23)(H,22,24)
InChIKeyKZSQJVBSCREUND-UHFFFAOYSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
CID 4935845
benzyl N-(carbamoylamino)carbamate
CID 141421180

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate?
The IUPAC name of benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate (CID 4935803) is benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate.
What is the SMILES notation for benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate?
The canonical SMILES for benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate is O=C(COc1ccc2ccccc2c1)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate?
The InChIKey is KZSQJVBSCREUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(21-22-20(24)26-13-15-6-2-1-3-7-15)14-25-18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate?
benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate has a molecular weight of 350.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate is sourced from PubChem (CID 4935803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).