benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate

C18H18N2O3 — CID 67850234

IUPACbenzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
SMILESNC(=O)C1(NC(=O)OCc2ccccc2)CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c19-16(21)18(11-10-14-8-4-5-9-15(14)18)20-17(22)23-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)(H,20,22)
InChIKeySZTREUPOLBTMHL-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.24
Rot. Bonds4

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

benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate (PubChem CID 67850234) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
PubChem CID67850234
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namebenzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
SMILESNC(=O)C1(NC(=O)OCc2ccccc2)CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c19-16(21)18(11-10-14-8-4-5-9-15(14)18)20-17(22)23-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)(H,20,22)
InChIKeySZTREUPOLBTMHL-UHFFFAOYSA-N
XLogP2.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylmethoxycarbonylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149890
benzyl N-(4-carbamoyl-1-bicyclo[2.2.2]octanyl)carbamate
CID 23150697
(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
CID 1268153
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569
2,2-dimethyl-4-(phenylmethoxycarbonylamino)-3H-chromene-4-carboxylic acid
CID 103775196
5-(prop-2-enoxycarbonylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 167731828
benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
CID 143923916
(2S)-8-hydroxy-2-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54198997
benzyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate
CID 154728317
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
The IUPAC name of benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate (CID 67850234) is benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate.
What is the SMILES notation for benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
The canonical SMILES for benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate is NC(=O)C1(NC(=O)OCc2ccccc2)CCc2ccccc21.
What is the InChIKey of benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
The InChIKey is SZTREUPOLBTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c19-16(21)18(11-10-14-8-4-5-9-15(14)18)20-17(22)23-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)(H,20,22).
What are the key properties of benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 67850234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).