tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate

C19H27NO2 — CID 135024084

IUPACtert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate
SMILESCC(C)(C)C=C=CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO2/c1-18(2,3)13-10-14-20(17(21)22-19(4,5)6)15-16-11-8-7-9-12-16/h7-9,11-14H,15H2,1-6H3
InChIKeyNEUGEEHCJXCDNW-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.14
Rot. Bonds3

About tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate

tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate (PubChem CID 135024084) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate
PubChem CID135024084
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Nametert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate
SMILESCC(C)(C)C=C=CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO2/c1-18(2,3)13-10-14-20(17(21)22-19(4,5)6)15-16-11-8-7-9-12-16/h7-9,11-14H,15H2,1-6H3
InChIKeyNEUGEEHCJXCDNW-UHFFFAOYSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
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tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
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CID 15514558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate (CID 135024084) is tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate is CC(C)(C)C=C=CN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate?
The InChIKey is NEUGEEHCJXCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-18(2,3)13-10-14-20(17(21)22-19(4,5)6)15-16-11-8-7-9-12-16/h7-9,11-14H,15H2,1-6H3.
What are the key properties of tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate?
tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate has a molecular weight of 301.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(4,4-dimethylpenta-1,2-dienyl)carbamate is sourced from PubChem (CID 135024084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).