benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate

C17H18N2O2 — CID 133060158

IUPACbenzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C17H18N2O2/c1-18(17(20)21-13-14-7-3-2-4-8-14)19-11-15-9-5-6-10-16(15)12-19/h2-10H,11-13H2,1H3
InChIKeyPAJUHYWZOXUBDQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.19
Rot. Bonds3

About benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate

benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate (PubChem CID 133060158) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
PubChem CID133060158
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namebenzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C17H18N2O2/c1-18(17(20)21-13-14-7-3-2-4-8-14)19-11-15-9-5-6-10-16(15)12-19/h2-10H,11-13H2,1H3
InChIKeyPAJUHYWZOXUBDQ-UHFFFAOYSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(1-formylcyclopropyl)-N-methylcarbamate
CID 129285103
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl methylphosphanylformate
CID 146418354
benzyl N-acetyl-N-aminocarbamate
CID 67604274
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
benzyl N-benzyl-N-ethylcarbamate
CID 70968693

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate?
The IUPAC name of benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate (CID 133060158) is benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate?
The InChIKey is PAJUHYWZOXUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(17(20)21-13-14-7-3-2-4-8-14)19-11-15-9-5-6-10-16(15)12-19/h2-10H,11-13H2,1H3.
What are the key properties of benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate?
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate has a molecular weight of 282.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 133060158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).