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

C15H21NO — CID 174154365

IUPAC3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
SMILESCCC1(C(C)C)CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C15H21NO/c1-4-15(10(2)3)8-7-11-5-6-12(14(16)17)9-13(11)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyVNOMJVDFBJHLRH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds3

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

3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide (PubChem CID 174154365) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
PubChem CID174154365
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
SMILESCCC1(C(C)C)CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C15H21NO/c1-4-15(10(2)3)8-7-11-5-6-12(14(16)17)9-13(11)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyVNOMJVDFBJHLRH-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
CID 177033599
spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-carboxamide
CID 175851005
7-amino-8,8-diethyl-6-methyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 130285552
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
2-[2-[[(2S,3S)-7-carbamoyl-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]ethyl]-3-methylbutanoic acid
CID 66702044
(6R,7R)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905616
(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905611
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
CID 145140796
3-amino-4-ethylbenzamide
CID 19977641
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The IUPAC name of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide (CID 174154365) is 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide.
What is the SMILES notation for 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The canonical SMILES for 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide is CCC1(C(C)C)CCc2ccc(C(N)=O)cc21.
What is the InChIKey of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The InChIKey is VNOMJVDFBJHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-15(10(2)3)8-7-11-5-6-12(14(16)17)9-13(11)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide is sourced from PubChem (CID 174154365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).