tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate

C24H30N2O3 — CID 46578833

IUPACtert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)NCC2CCCc3ccccc32)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-15-17-11-13-19(14-12-17)22(27)25-16-20-9-6-8-18-7-4-5-10-21(18)20/h4-5,7,10-14,20H,6,8-9,15-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFIDRXNQYEMMVPC-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.56
Rot. Bonds5

About tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate

tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate (PubChem CID 46578833) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
PubChem CID46578833
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nametert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)NCC2CCCc3ccccc32)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-15-17-11-13-19(14-12-17)22(27)25-16-20-9-6-8-18-7-4-5-10-21(18)20/h4-5,7,10-14,20H,6,8-9,15-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFIDRXNQYEMMVPC-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenyl]methyl]carbamate
CID 46555150
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
tert-butyl N-[3-(4-methylphenyl)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)propan-2-yl]carbamate
CID 144774079
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 59021765
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262
chloromethyl 8-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 165440362
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
tert-butyl N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]carbamate
CID 41307191
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate (CID 46578833) is tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)NCC2CCCc3ccccc32)cc1.
What is the InChIKey of tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate?
The InChIKey is FIDRXNQYEMMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-15-17-11-13-19(14-12-17)22(27)25-16-20-9-6-8-18-7-4-5-10-21(18)20/h4-5,7,10-14,20H,6,8-9,15-16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate has a molecular weight of 394.52 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 46578833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).