tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate

C17H32N2O4 — CID 19438056

IUPACtert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate
SMILESC=CCCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-8-9-10-11-13(19-15(21)23-17(5,6)7)12-18-14(20)22-16(2,3)4/h8,13H,1,9-12H2,2-7H3,(H,18,20)(H,19,21)
InChIKeyGZJJANKMVVERRO-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.76
Rot. Bonds7

About tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate (PubChem CID 19438056) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate
PubChem CID19438056
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate
SMILESC=CCCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-8-9-10-11-13(19-15(21)23-17(5,6)7)12-18-14(20)22-16(2,3)4/h8,13H,1,9-12H2,2-7H3,(H,18,20)(H,19,21)
InChIKeyGZJJANKMVVERRO-UHFFFAOYSA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate
CID 384583
tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
Carbamic acid, 5-hexenyl-, 1,1-dimethylethyl ester (9CI)
CID 42636780
di-tert-butyl ((1S,2S)-cyclohex-4-ene-1,2-diyl)dicarbamate
CID 66575486
3,7-Di-t-butoxycarbonylamino-6,6-difluoro-1,8-nonadiene
CID 86742035
tert-butyl N-[1-fluoro-4-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 88692450
tert-butyl N-[6-fluoro-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 88692920
Carbamic acid, (1R,2R)-4-cyclohexene-1,2-diylbis-, bis(1,1-dimethylethyl) ester
CID 10710258
Tert-butyl (2S)-hex-5-EN-2-ylcarbamate
CID 45091912
tert-butyl N-nona-1,8-dien-5-ylcarbamate
CID 42624686
tert-butyl N-[(4R)-hept-1-en-4-yl]carbamate
CID 95898077
tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate
CID 134942276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate (CID 19438056) is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate is C=CCCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate?
The InChIKey is GZJJANKMVVERRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-8-9-10-11-13(19-15(21)23-17(5,6)7)12-18-14(20)22-16(2,3)4/h8,13H,1,9-12H2,2-7H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate?
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-en-2-yl]carbamate is sourced from PubChem (CID 19438056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).