tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid

C17H19NO3 — CID 173410793

IUPACtert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(C=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-17(2,3)18(16(20)21)15(11-19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,1-3H3,(H,20,21)
InChIKeyDONWUYATUQOXRN-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.86
Rot. Bonds3

About tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid

tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid (PubChem CID 173410793) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid
PubChem CID173410793
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nametert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(C=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-17(2,3)18(16(20)21)15(11-19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,1-3H3,(H,20,21)
InChIKeyDONWUYATUQOXRN-UHFFFAOYSA-N
XLogP3.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
tert-butyl-[2-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylethyl]carbamic acid
CID 67065470
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906
1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 116911415
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
tert-butyl N-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1S)-1-naphthalen-1-ylprop-2-enyl]carbamimidoyl]-N-[(1S)-1-naphthalen-1-ylprop-2-enyl]carbamate
CID 25185507
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid?
The IUPAC name of tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid (CID 173410793) is tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid.
What is the SMILES notation for tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid?
The canonical SMILES for tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid is CC(C)(C)N(C(=O)O)C(C=O)c1cccc2ccccc12.
What is the InChIKey of tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid?
The InChIKey is DONWUYATUQOXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)18(16(20)21)15(11-19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,1-3H3,(H,20,21).
What are the key properties of tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid?
tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid has a molecular weight of 285.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid is sourced from PubChem (CID 173410793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).