acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate

C15H23NO7 — CID 69176768

IUPACacetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate
SMILESCC(=O)O.Cc1oc(=O)oc1COC(=O)NCC1CCCCC1
InChIInChI=1S/C13H19NO5.C2H4O2/c1-9-11(19-13(16)18-9)8-17-12(15)14-7-10-5-3-2-4-6-10;1-2(3)4/h10H,2-8H2,1H3,(H,14,15);1H3,(H,3,4)
InChIKeyFKFHNJXRDMFETL-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.44
Rot. Bonds4

About acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate

acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate (PubChem CID 69176768) has the molecular formula C15H23NO7 and a molecular weight of 329.35 g/mol. Its IUPAC name is acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Nameacetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate
PubChem CID69176768
Molecular FormulaC15H23NO7
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Nameacetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate
SMILESCC(=O)O.Cc1oc(=O)oc1COC(=O)NCC1CCCCC1
InChIInChI=1S/C13H19NO5.C2H4O2/c1-9-11(19-13(16)18-9)8-17-12(15)14-7-10-5-3-2-4-6-10;1-2(3)4/h10H,2-8H2,1H3,(H,14,15);1H3,(H,3,4)
InChIKeyFKFHNJXRDMFETL-UHFFFAOYSA-N
XLogP2.44
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[(3R)-2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate
CID 174263095
4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
CID 58840443
cyclohexylmethyl (2R)-2-[[2-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]propanoyl]amino]-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]propanoate
CID 134483093
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
CID 141202995
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
acetic acid;2-(cyclohexylmethylcarbamoyloxy)propan-2-yl 2-methylpropanoate
CID 69176752
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
acetic acid;1-(cyclohexylmethylcarbamoyloxy)propyl acetate
CID 68798909

Frequently Asked Questions

What is the IUPAC name of acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate?
The IUPAC name of acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate (CID 69176768) is acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate?
The canonical SMILES for acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate is CC(=O)O.Cc1oc(=O)oc1COC(=O)NCC1CCCCC1.
What is the InChIKey of acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate?
The InChIKey is FKFHNJXRDMFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5.C2H4O2/c1-9-11(19-13(16)18-9)8-17-12(15)14-7-10-5-3-2-4-6-10;1-2(3)4/h10H,2-8H2,1H3,(H,14,15);1H3,(H,3,4).
What are the key properties of acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate?
acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate has a molecular weight of 329.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 69176768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).