benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate

C16H25NO4 — CID 57386791

IUPACbenzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
SMILESCOCOCCCC(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,10-7-11-20-13-19-3)17-15(18)21-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,17,18)
InChIKeyIZSNDPQAPOULOZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.09
Rot. Bonds9

About benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate

benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate (PubChem CID 57386791) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
PubChem CID57386791
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namebenzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
SMILESCOCOCCCC(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,10-7-11-20-13-19-3)17-15(18)21-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,17,18)
InChIKeyIZSNDPQAPOULOZ-UHFFFAOYSA-N
XLogP3.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
CID 126639455
6-(butylamino)-2-[3-(methoxymethoxy)propyl]-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 10812933
benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
CID 67310517
S-[3-methyl-3-(phenylmethoxycarbonylamino)butyl] ethanethioate
CID 86665510
tert-butyl 4-(methoxymethoxy)-2-(phenylmethoxycarbonylamino)butanoate
CID 141053861
(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
CID 100990652
benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate
CID 67507979
benzyl N-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfonyl]-2-methylbutan-2-yl]carbamate
CID 67509059
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
CID 18643839
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
benzyl N-(methoxymethoxymethylcarbamoyl)carbamate
CID 69094371
benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate?
The IUPAC name of benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate (CID 57386791) is benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate is COCOCCCC(C)(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate?
The InChIKey is IZSNDPQAPOULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,10-7-11-20-13-19-3)17-15(18)21-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,17,18).
What are the key properties of benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate?
benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate is sourced from PubChem (CID 57386791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).