N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide

C18H23NO2 — CID 102602959

IUPACN,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESO=C(N(CC1CC1)CC1CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C18H23NO2/c20-17(19(11-13-5-6-13)12-14-7-8-14)18(21)9-15-3-1-2-4-16(15)10-18/h1-4,13-14,21H,5-12H2
InChIKeyPGBHNDXJDONFHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.16
Rot. Bonds5

About N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide

N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide (PubChem CID 102602959) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide
PubChem CID102602959
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESO=C(N(CC1CC1)CC1CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C18H23NO2/c20-17(19(11-13-5-6-13)12-14-7-8-14)18(21)9-15-3-1-2-4-16(15)10-18/h1-4,13-14,21H,5-12H2
InChIKeyPGBHNDXJDONFHQ-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71856932
(2-Hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
CID 71874541
(2-Hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 71925445
(2-Hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 71925528
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137839700
2-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-dihydroindene-2-carboxamide
CID 137855417
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137864005
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 139005892
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 139008581
2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
CID 71866641
N-cyclopentyl-2-hydroxy-1,3-dihydroindene-2-carboxamide
CID 72128811
2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
CID 172805078

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide (CID 102602959) is N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide is O=C(N(CC1CC1)CC1CC1)C1(O)Cc2ccccc2C1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The InChIKey is PGBHNDXJDONFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17(19(11-13-5-6-13)12-14-7-8-14)18(21)9-15-3-1-2-4-16(15)10-18/h1-4,13-14,21H,5-12H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide?
N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 102602959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).