2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C18H34N2O7 — CID 131998982

IUPAC2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)COC(C)(C)CNC(=O)OCCOC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O7/c1-13(2)11-26-18(6,7)12-20-15(22)25-9-8-24-14(21)10-19-16(23)27-17(3,4)5/h13H,8-12H2,1-7H3,(H,19,23)(H,20,22)
InChIKeyYEONTWDEWKHCCP-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.23
Rot. Bonds10

About 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 131998982) has the molecular formula C18H34N2O7 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID131998982
Molecular FormulaC18H34N2O7
Molecular Weight390.48 g/mol
Exact Mass390.24
IUPAC Name2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)COC(C)(C)CNC(=O)OCCOC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O7/c1-13(2)11-26-18(6,7)12-20-15(22)25-9-8-24-14(21)10-19-16(23)27-17(3,4)5/h13H,8-12H2,1-7H3,(H,19,23)(H,20,22)
InChIKeyYEONTWDEWKHCCP-UHFFFAOYSA-N
XLogP2.23
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
tert-butyl N-[3-bromo-2-methyl-2-(2-methylpropoxy)propyl]carbamate
CID 114772777
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
tert-butyl N-[2-methyl-2-(2-methyl-2-sulfanylpropoxy)propyl]carbamate
CID 123396526
2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
CID 89285371
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
2-methylpropyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 108567446

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 131998982) is 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)COC(C)(C)CNC(=O)OCCOC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is YEONTWDEWKHCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O7/c1-13(2)11-26-18(6,7)12-20-15(22)25-9-8-24-14(21)10-19-16(23)27-17(3,4)5/h13H,8-12H2,1-7H3,(H,19,23)(H,20,22).
What are the key properties of 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 390.48 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 131998982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).