(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide

C19H29NO2 — CID 58841310

IUPAC(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide
SMILESCC(C)C[C@@H](O)C[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@H]1C
InChIInChI=1S/C19H29NO2/c1-12(2)9-16(21)11-14(4)19(22)20-18-13(3)10-15-7-5-6-8-17(15)18/h5-8,12-14,16,18,21H,9-11H2,1-4H3,(H,20,22)/t13-,14-,16-,18-/m1/s1
InChIKeyLFJUCDBWJQKPFR-GZOSKZMVSA-N
MW303.45 g/mol
LogP3.47
Rot. Bonds6

About (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide

(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide (PubChem CID 58841310) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide
PubChem CID58841310
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide
SMILESCC(C)C[C@@H](O)C[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@H]1C
InChIInChI=1S/C19H29NO2/c1-12(2)9-16(21)11-14(4)19(22)20-18-13(3)10-15-7-5-6-8-17(15)18/h5-8,12-14,16,18,21H,9-11H2,1-4H3,(H,20,22)/t13-,14-,16-,18-/m1/s1
InChIKeyLFJUCDBWJQKPFR-GZOSKZMVSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
5-amino-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 77313664
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
(2S,6S)-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,6-bis(phenylmethoxy)heptanediamide
CID 10794328
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111455468

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide?
The IUPAC name of (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide (CID 58841310) is (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide?
The canonical SMILES for (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide is CC(C)C[C@@H](O)C[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@H]1C.
What is the InChIKey of (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide?
The InChIKey is LFJUCDBWJQKPFR-GZOSKZMVSA-N. The full InChI is InChI=1S/C19H29NO2/c1-12(2)9-16(21)11-14(4)19(22)20-18-13(3)10-15-7-5-6-8-17(15)18/h5-8,12-14,16,18,21H,9-11H2,1-4H3,(H,20,22)/t13-,14-,16-,18-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide?
(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide has a molecular weight of 303.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide is sourced from PubChem (CID 58841310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).