tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate

C19H25NO2 — CID 102492141

IUPACtert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(Cc1cccc2ccccc12)C(=O)OC(C)(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)20(18(21)22-19(3,4)5)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12,14H,13H2,1-5H3
InChIKeyFFVKGBZLLUDVMQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.99
Rot. Bonds3

About tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate

tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate (PubChem CID 102492141) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
PubChem CID102492141
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nametert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(Cc1cccc2ccccc12)C(=O)OC(C)(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)20(18(21)22-19(3,4)5)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12,14H,13H2,1-5H3
InChIKeyFFVKGBZLLUDVMQ-UHFFFAOYSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-methyl-N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]carbamate
CID 142061604
tert-butyl N-[(6-bromo-2-pyridinyl)methyl]-N-propan-2-ylcarbamate
CID 87834368
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate
CID 162020416
2-[[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]acetic acid
CID 67617115
tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate
CID 141041485
N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 68853294
tert-butyl 3-amino-4-[[(2S)-1,1-diethoxypropan-2-yl]-(naphthalen-1-ylmethyl)amino]-2-oxobutanoate
CID 67075669
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate (CID 102492141) is tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate is CC(C)N(Cc1cccc2ccccc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate?
The InChIKey is FFVKGBZLLUDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(2)20(18(21)22-19(3,4)5)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12,14H,13H2,1-5H3.
What are the key properties of tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate?
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate has a molecular weight of 299.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 102492141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).