benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate

C23H18N2O4 — CID 10548187

IUPACbenzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H18N2O4/c26-21-19-13-7-8-14-20(19)22(27)25(21)24(15-17-9-3-1-4-10-17)23(28)29-16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyPWEBZCKCTRFWID-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.04
Rot. Bonds5

About benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate

benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate (PubChem CID 10548187) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate
PubChem CID10548187
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namebenzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H18N2O4/c26-21-19-13-7-8-14-20(19)22(27)25(21)24(15-17-9-3-1-4-10-17)23(28)29-16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyPWEBZCKCTRFWID-UHFFFAOYSA-N
XLogP4.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

S-ethyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamothioate
CID 155280964
tert-butyl N-amino-N-[[benzyl-(1,3-dioxoisoindol-2-yl)carbamoyl]amino]carbamate
CID 155282679
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
tert-butyl (2S)-2-[[benzyl-(1,3-dioxoisoindol-2-yl)carbamoyl]amino]-3-methylbutanoate
CID 155279533
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
N-benzyl-N-(1,3-dioxoisoindol-2-yl)-3-methylimidazol-3-ium-1-carboxamide
CID 155280782
benzyl N,N-dimethylcarbamate
CID 12963450
methyl 2-[[benzyl-(1,3-dioxoisoindol-2-yl)carbamoyl]amino]-4-methylsulfanylbutanoate
CID 155279531
benzyl N-[2-(1,3-dioxoisoindol-2-yl)-1-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 134832239
benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10592122

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate?
The IUPAC name of benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate (CID 10548187) is benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate.
What is the SMILES notation for benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate?
The canonical SMILES for benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate is O=C(OCc1ccccc1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate?
The InChIKey is PWEBZCKCTRFWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21-19-13-7-8-14-20(19)22(27)25(21)24(15-17-9-3-1-4-10-17)23(28)29-16-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate?
benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate has a molecular weight of 386.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate is sourced from PubChem (CID 10548187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).