butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate

C18H21NO3 — CID 151598616

IUPACbutyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-2-3-10-22-18(21)19-17(13-20)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyQJZSBJDDWXXZAN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.48
Rot. Bonds7

About butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate

butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate (PubChem CID 151598616) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
PubChem CID151598616
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namebutyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-2-3-10-22-18(21)19-17(13-20)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyQJZSBJDDWXXZAN-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate
CID 88744288
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
CID 102138109
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428
butyl N-[(2S)-1-hydroxy-3-oxopropan-2-yl]carbamate
CID 174370782
ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
CID 145374436
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
CID 89155610

Frequently Asked Questions

What is the IUPAC name of butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate?
The IUPAC name of butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate (CID 151598616) is butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate.
What is the SMILES notation for butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate?
The canonical SMILES for butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate is CCCCOC(=O)NC(C=O)Cc1ccc2ccccc2c1.
What is the InChIKey of butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate?
The InChIKey is QJZSBJDDWXXZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-3-10-22-18(21)19-17(13-20)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,19,21).
What are the key properties of butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate?
butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate is sourced from PubChem (CID 151598616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).