tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate

C17H23NO3 — CID 19386041

IUPACtert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2cc(C=O)ccc2C1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-12-4-6-15-9-13(11-19)5-7-14(15)8-12/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,18,20)
InChIKeyCZZCHUVBNIDYHH-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate

tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate (PubChem CID 19386041) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
PubChem CID19386041
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2cc(C=O)ccc2C1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-12-4-6-15-9-13(11-19)5-7-14(15)8-12/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,18,20)
InChIKeyCZZCHUVBNIDYHH-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]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-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
ethyl 2-[[(7S)-7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 54442037
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate
CID 103780185
tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 143068294
tert-butyl 7-formyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58277799
2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 18462638
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate (CID 19386041) is tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCc2cc(C=O)ccc2C1.
What is the InChIKey of tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The InChIKey is CZZCHUVBNIDYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-12-4-6-15-9-13(11-19)5-7-14(15)8-12/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate has a molecular weight of 289.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate is sourced from PubChem (CID 19386041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).