benzyl N-cyclopropyl-N-propylcarbamate

C14H19NO2 — CID 130159300

IUPACbenzyl N-cyclopropyl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-2-10-15(13-8-9-13)14(16)17-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyDYINGQFMVDWSLC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.20
Rot. Bonds5

About benzyl N-cyclopropyl-N-propylcarbamate

benzyl N-cyclopropyl-N-propylcarbamate (PubChem CID 130159300) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl N-cyclopropyl-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropyl-N-propylcarbamate
PubChem CID130159300
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl N-cyclopropyl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-2-10-15(13-8-9-13)14(16)17-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyDYINGQFMVDWSLC-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
CID 69260154
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
CID 66569376
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropyl-N-propylcarbamate?
The IUPAC name of benzyl N-cyclopropyl-N-propylcarbamate (CID 130159300) is benzyl N-cyclopropyl-N-propylcarbamate.
What is the SMILES notation for benzyl N-cyclopropyl-N-propylcarbamate?
The canonical SMILES for benzyl N-cyclopropyl-N-propylcarbamate is CCCN(C(=O)OCc1ccccc1)C1CC1.
What is the InChIKey of benzyl N-cyclopropyl-N-propylcarbamate?
The InChIKey is DYINGQFMVDWSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-10-15(13-8-9-13)14(16)17-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of benzyl N-cyclopropyl-N-propylcarbamate?
benzyl N-cyclopropyl-N-propylcarbamate has a molecular weight of 233.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropyl-N-propylcarbamate is sourced from PubChem (CID 130159300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).