3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide

C14H19NO — CID 177033599

IUPAC3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
SMILESCC(C)C1(C)CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C14H19NO/c1-9(2)14(3)7-6-10-4-5-11(13(15)16)8-12(10)14/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyPBNASLHYXQEAFP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds2

About 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide

3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide (PubChem CID 177033599) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
PubChem CID177033599
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
SMILESCC(C)C1(C)CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C14H19NO/c1-9(2)14(3)7-6-10-4-5-11(13(15)16)8-12(10)14/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyPBNASLHYXQEAFP-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 170601628
3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
CID 174154365
spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-carboxamide
CID 175851005
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
3,3-dimethyl-2-methylidene-1,1-dioxo-4H-thiochromene-7-carboxamide
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6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
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(1S,13R)-1,13-dimethyl-10-(3-methylbutyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 129151292
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxamide
CID 123510278
1-(3,3-dimethyl-1,2-dihydroinden-5-yl)-2-methylprop-2-en-1-one
CID 129031614

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The IUPAC name of 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide (CID 177033599) is 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide.
What is the SMILES notation for 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The canonical SMILES for 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide is CC(C)C1(C)CCc2ccc(C(N)=O)cc21.
What is the InChIKey of 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The InChIKey is PBNASLHYXQEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)14(3)7-6-10-4-5-11(13(15)16)8-12(10)14/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16).
What are the key properties of 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide is sourced from PubChem (CID 177033599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).