2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate

C17H17NO3 — CID 102129679

IUPAC2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)18-17(19)21-16-11-6-12-4-2-3-5-15(12)16/h2-5,7-10,16H,6,11H2,1H3,(H,18,19)
InChIKeyMOSSWYYLQIFSMK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.93
Rot. Bonds3

About 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate

2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate (PubChem CID 102129679) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
PubChem CID102129679
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)18-17(19)21-16-11-6-12-4-2-3-5-15(12)16/h2-5,7-10,16H,6,11H2,1H3,(H,18,19)
InChIKeyMOSSWYYLQIFSMK-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate
CID 2489222
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
bis[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2487797
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
(2R)-2-cyano-4-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-methoxyphenyl)-3-oxobutanamide
CID 98359261
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 40918392
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate (CID 102129679) is 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OC2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate?
The InChIKey is MOSSWYYLQIFSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)18-17(19)21-16-11-6-12-4-2-3-5-15(12)16/h2-5,7-10,16H,6,11H2,1H3,(H,18,19).
What are the key properties of 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate?
2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate has a molecular weight of 283.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 102129679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).