tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate

C15H29NO3 — CID 169213307

IUPACtert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate
SMILESCC(=O)CCC(C)(C)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(17)8-9-15(5,6)10-11-16(7)13(18)19-14(2,3)4/h8-11H2,1-7H3
InChIKeyMFQJGBIZXCCMMS-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate

tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate (PubChem CID 169213307) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate
PubChem CID169213307
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate
SMILESCC(=O)CCC(C)(C)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(17)8-9-15(5,6)10-11-16(7)13(18)19-14(2,3)4/h8-11H2,1-7H3
InChIKeyMFQJGBIZXCCMMS-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
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tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
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tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
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3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
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CID 159187536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate (CID 169213307) is tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate is CC(=O)CCC(C)(C)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate?
The InChIKey is MFQJGBIZXCCMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(17)8-9-15(5,6)10-11-16(7)13(18)19-14(2,3)4/h8-11H2,1-7H3.
What are the key properties of tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate?
tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate has a molecular weight of 271.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate is sourced from PubChem (CID 169213307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).