benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate

C21H24N2O3 — CID 166326265

IUPACbenzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate
SMILESCC1(C)Cc2ccc(NC(=O)CNC(=O)OCc3ccccc3)cc2C1
InChIInChI=1S/C21H24N2O3/c1-21(2)11-16-8-9-18(10-17(16)12-21)23-19(24)13-22-20(25)26-14-15-6-4-3-5-7-15/h3-10H,11-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQFIQSXOORAXWFO-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.68
Rot. Bonds5

About benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate

benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate (PubChem CID 166326265) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate
PubChem CID166326265
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namebenzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate
SMILESCC1(C)Cc2ccc(NC(=O)CNC(=O)OCc3ccccc3)cc2C1
InChIInChI=1S/C21H24N2O3/c1-21(2)11-16-8-9-18(10-17(16)12-21)23-19(24)13-22-20(25)26-14-15-6-4-3-5-7-15/h3-10H,11-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQFIQSXOORAXWFO-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60596184
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CID 78775976
chloromethyl 4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoate
CID 70183843
1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
CID 169041659
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
CID 60596320
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
CID 122295713
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
CID 126005165
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(3,4-dihydro-1H-isochromen-6-yl)carbamate
CID 86594253
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
CID 60595823

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate (CID 166326265) is benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate is CC1(C)Cc2ccc(NC(=O)CNC(=O)OCc3ccccc3)cc2C1.
What is the InChIKey of benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is QFIQSXOORAXWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2)11-16-8-9-18(10-17(16)12-21)23-19(24)13-22-20(25)26-14-15-6-4-3-5-7-15/h3-10H,11-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 166326265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).