benzyl N-[3-(methoxymethoxy)butyl]carbamate

C14H21NO4 — CID 173199640

IUPACbenzyl N-[3-(methoxymethoxy)butyl]carbamate
SMILESCOCOC(C)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO4/c1-12(19-11-17-2)8-9-15-14(16)18-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,16)
InChIKeyABFSUWWGZNHTLD-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.31
Rot. Bonds8

About benzyl N-[3-(methoxymethoxy)butyl]carbamate

benzyl N-[3-(methoxymethoxy)butyl]carbamate (PubChem CID 173199640) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is benzyl N-[3-(methoxymethoxy)butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(methoxymethoxy)butyl]carbamate
PubChem CID173199640
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namebenzyl N-[3-(methoxymethoxy)butyl]carbamate
SMILESCOCOC(C)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO4/c1-12(19-11-17-2)8-9-15-14(16)18-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,16)
InChIKeyABFSUWWGZNHTLD-UHFFFAOYSA-N
XLogP2.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
CID 134268781
methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 58058033
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(methoxymethoxy)butyl]carbamate?
The IUPAC name of benzyl N-[3-(methoxymethoxy)butyl]carbamate (CID 173199640) is benzyl N-[3-(methoxymethoxy)butyl]carbamate.
What is the SMILES notation for benzyl N-[3-(methoxymethoxy)butyl]carbamate?
The canonical SMILES for benzyl N-[3-(methoxymethoxy)butyl]carbamate is COCOC(C)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(methoxymethoxy)butyl]carbamate?
The InChIKey is ABFSUWWGZNHTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-12(19-11-17-2)8-9-15-14(16)18-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,16).
What are the key properties of benzyl N-[3-(methoxymethoxy)butyl]carbamate?
benzyl N-[3-(methoxymethoxy)butyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(methoxymethoxy)butyl]carbamate is sourced from PubChem (CID 173199640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).