benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate

C16H26N2O4 — CID 174805775

IUPACbenzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
SMILESCCC(C)C(C)(COC(N)=O)COC(N)=O.c1ccccc1
InChIInChI=1S/C10H20N2O4.C6H6/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14;1-2-4-6-5-3-1/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14);1-6H
InChIKeyVPQNWEBSSSLKKI-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.92
Rot. Bonds6

About benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate

benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate (PubChem CID 174805775) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate.

Molecular Properties

Compound Namebenzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
PubChem CID174805775
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Namebenzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
SMILESCCC(C)C(C)(COC(N)=O)COC(N)=O.c1ccccc1
InChIInChI=1S/C10H20N2O4.C6H6/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14;1-2-4-6-5-3-1/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14);1-6H
InChIKeyVPQNWEBSSSLKKI-UHFFFAOYSA-N
XLogP2.92
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate;N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
CID 174845997
[2-(benzoyloxymethyl)-2-butan-2-yl-3-methylpentyl] benzoate
CID 141233302
methyl 3-(aminomethyl)-3,4-dimethylhexanoate
CID 66096199
2,3,3,4-tetramethylhexanamide
CID 90191700
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
3-amino-3,4-dimethylhexanamide
CID 165482291
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
CID 134348106
2-iodopropyl carbamate
CID 87289235
2,2-dichloropropyl carbamate
CID 146611343
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582

Frequently Asked Questions

What is the IUPAC name of benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
The IUPAC name of benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate (CID 174805775) is benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate.
What is the SMILES notation for benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
The canonical SMILES for benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate is CCC(C)C(C)(COC(N)=O)COC(N)=O.c1ccccc1.
What is the InChIKey of benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
The InChIKey is VPQNWEBSSSLKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.C6H6/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14;1-2-4-6-5-3-1/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14);1-6H.
What are the key properties of benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate is sourced from PubChem (CID 174805775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).