tert-butyl N-benzyl-N-pent-4-enylcarbamate

C17H25NO2 — CID 15840242

IUPACtert-butyl N-benzyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-5-6-10-13-18(16(19)20-17(2,3)4)14-15-11-8-7-9-12-15/h5,7-9,11-12H,1,6,10,13-14H2,2-4H3
InChIKeyUQDGMHXORLCORV-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.39
Rot. Bonds6

About tert-butyl N-benzyl-N-pent-4-enylcarbamate

tert-butyl N-benzyl-N-pent-4-enylcarbamate (PubChem CID 15840242) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-pent-4-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-pent-4-enylcarbamate
PubChem CID15840242
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-benzyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-5-6-10-13-18(16(19)20-17(2,3)4)14-15-11-8-7-9-12-15/h5,7-9,11-12H,1,6,10,13-14H2,2-4H3
InChIKeyUQDGMHXORLCORV-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-(2-oxohex-5-enyl)carbamate
CID 165471210
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoic acid
CID 154080815
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-[(2R)-1-[benzyl(pent-4-enyl)amino]-1-oxopent-4-en-2-yl]carbamate
CID 102454959
tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate
CID 57382243
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
tert-butyl N-benzyl-N-[(E)-5-methoxypent-3-enyl]carbamate
CID 131241133
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-pent-4-enylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-pent-4-enylcarbamate (CID 15840242) is tert-butyl N-benzyl-N-pent-4-enylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-pent-4-enylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-pent-4-enylcarbamate is C=CCCCN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-pent-4-enylcarbamate?
The InChIKey is UQDGMHXORLCORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-6-10-13-18(16(19)20-17(2,3)4)14-15-11-8-7-9-12-15/h5,7-9,11-12H,1,6,10,13-14H2,2-4H3.
What are the key properties of tert-butyl N-benzyl-N-pent-4-enylcarbamate?
tert-butyl N-benzyl-N-pent-4-enylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.39, 6 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-pent-4-enylcarbamate is sourced from PubChem (CID 15840242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).