2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate

C18H33NO6 — CID 123999633

IUPAC2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
SMILESCC(C)(C)OC(=O)NCCCC1CCCCCC1OC(=O)OCCO
InChIInChI=1S/C18H33NO6/c1-18(2,3)25-16(21)19-11-7-9-14-8-5-4-6-10-15(14)24-17(22)23-13-12-20/h14-15,20H,4-13H2,1-3H3,(H,19,21)
InChIKeyGLZBPZQLNKUYQH-UHFFFAOYSA-N
MW359.46 g/mol
LogP3.39
Rot. Bonds7

About 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate

2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate (PubChem CID 123999633) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate.

Molecular Properties

Compound Name2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
PubChem CID123999633
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC Name2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
SMILESCC(C)(C)OC(=O)NCCCC1CCCCCC1OC(=O)OCCO
InChIInChI=1S/C18H33NO6/c1-18(2,3)25-16(21)19-11-7-9-14-8-5-4-6-10-15(14)24-17(22)23-13-12-20/h14-15,20H,4-13H2,1-3H3,(H,19,21)
InChIKeyGLZBPZQLNKUYQH-UHFFFAOYSA-N
XLogP3.39
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(2-ethenoxycyclohexyl)propyl]carbamate
CID 76712693
2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate
CID 135203827
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
CID 164901187
tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
CID 58242210
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl cycloheptanecarboxylate
CID 68733385
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate
CID 15183497
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
CID 83982209
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate?
The IUPAC name of 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate (CID 123999633) is 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate.
What is the SMILES notation for 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate?
The canonical SMILES for 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate is CC(C)(C)OC(=O)NCCCC1CCCCCC1OC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate?
The InChIKey is GLZBPZQLNKUYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO6/c1-18(2,3)25-16(21)19-11-7-9-14-8-5-4-6-10-15(14)24-17(22)23-13-12-20/h14-15,20H,4-13H2,1-3H3,(H,19,21).
What are the key properties of 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate?
2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate has a molecular weight of 359.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate is sourced from PubChem (CID 123999633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).