N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide

C19H21NO — CID 133191255

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21NO/c1-13-6-8-16(9-7-13)19(21)20-14(2)17-11-10-15-4-3-5-18(15)12-17/h6-12,14H,3-5H2,1-2H3,(H,20,21)
InChIKeyDXZNXFHLLNWUQP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.97
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide (PubChem CID 133191255) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
PubChem CID133191255
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21NO/c1-13-6-8-16(9-7-13)19(21)20-14(2)17-11-10-15-4-3-5-18(15)12-17/h6-12,14H,3-5H2,1-2H3,(H,20,21)
InChIKeyDXZNXFHLLNWUQP-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 133188810
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133188274
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 125086770
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide (CID 133191255) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide?
The InChIKey is DXZNXFHLLNWUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-6-8-16(9-7-13)19(21)20-14(2)17-11-10-15-4-3-5-18(15)12-17/h6-12,14H,3-5H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 133191255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).