2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide

C23H31NO — CID 143301738

IUPAC2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)Cc1c(C)cccc1C.c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO.C9H10/c1-5-15-14(16)12(4)9-13-10(2)7-6-8-11(13)3;1-2-5-9-7-3-6-8(9)4-1/h6-8,12H,5,9H2,1-4H3,(H,15,16);1-2,4-5H,3,6-7H2
InChIKeyKCTQPQVXGHPHCG-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.79
Rot. Bonds4

About 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide

2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide (PubChem CID 143301738) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide
PubChem CID143301738
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)Cc1c(C)cccc1C.c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO.C9H10/c1-5-15-14(16)12(4)9-13-10(2)7-6-8-11(13)3;1-2-5-9-7-3-6-8(9)4-1/h6-8,12H,5,9H2,1-4H3,(H,15,16);1-2,4-5H,3,6-7H2
InChIKeyKCTQPQVXGHPHCG-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide?
The IUPAC name of 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide (CID 143301738) is 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)Cc1c(C)cccc1C.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide?
The InChIKey is KCTQPQVXGHPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C9H10/c1-5-15-14(16)12(4)9-13-10(2)7-6-8-11(13)3;1-2-5-9-7-3-6-8(9)4-1/h6-8,12H,5,9H2,1-4H3,(H,15,16);1-2,4-5H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide?
2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide has a molecular weight of 337.51 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;3-(2,6-dimethylphenyl)-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 143301738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).