benzyl N-cyclopropyloxy-N-methylcarbamate

C12H15NO3 — CID 169312845

IUPACbenzyl N-cyclopropyloxy-N-methylcarbamate
SMILESCN(OC1CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-13(16-11-7-8-11)12(14)15-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyFPNHXAGJJICITA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds4

About benzyl N-cyclopropyloxy-N-methylcarbamate

benzyl N-cyclopropyloxy-N-methylcarbamate (PubChem CID 169312845) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is benzyl N-cyclopropyloxy-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropyloxy-N-methylcarbamate
PubChem CID169312845
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namebenzyl N-cyclopropyloxy-N-methylcarbamate
SMILESCN(OC1CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-13(16-11-7-8-11)12(14)15-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyFPNHXAGJJICITA-UHFFFAOYSA-N
XLogP2.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-methyl-N-prop-2-ynoxycarbamate
CID 90159328
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
3-ethoxy-1-[methyl(phenylmethoxycarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106822762
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropyloxy-N-methylcarbamate?
The IUPAC name of benzyl N-cyclopropyloxy-N-methylcarbamate (CID 169312845) is benzyl N-cyclopropyloxy-N-methylcarbamate.
What is the SMILES notation for benzyl N-cyclopropyloxy-N-methylcarbamate?
The canonical SMILES for benzyl N-cyclopropyloxy-N-methylcarbamate is CN(OC1CC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-cyclopropyloxy-N-methylcarbamate?
The InChIKey is FPNHXAGJJICITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13(16-11-7-8-11)12(14)15-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of benzyl N-cyclopropyloxy-N-methylcarbamate?
benzyl N-cyclopropyloxy-N-methylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropyloxy-N-methylcarbamate is sourced from PubChem (CID 169312845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).