tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate

C18H21NO3 — CID 87951534

IUPACtert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-11-16(12-20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16H,11H2,1-3H3,(H,19,21)
InChIKeyWXSPEXQIAOBZSH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate

tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate (PubChem CID 87951534) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate
PubChem CID87951534
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nametert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-11-16(12-20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16H,11H2,1-3H3,(H,19,21)
InChIKeyWXSPEXQIAOBZSH-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(4-methoxyphenyl)-3-oxopropyl]carbamate
CID 84730391
tert-butyl N-[2-(4-chlorophenyl)-3-oxopropyl]carbamate
CID 19090869
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
tert-butyl N-[(2R)-2-naphthalen-2-yl-2-(3-pyridin-4-ylpropanoylamino)ethyl]carbamate
CID 97248440
tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
CID 86775757
tert-butyl N-[2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
CID 75393204
tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
CID 97247580
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734144
tert-butyl N-[(1S)-2,2-bis(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]carbamate
CID 102082022

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate (CID 87951534) is tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate is CC(C)(C)OC(=O)NCC(C=O)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate?
The InChIKey is WXSPEXQIAOBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-11-16(12-20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16H,11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate?
tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate is sourced from PubChem (CID 87951534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).