3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

C16H24N2O2 — CID 107222190

IUPAC3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCC(C)(C)NCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H24N2O2/c1-16(2,3)17-9-8-14(20)18-15-12-7-5-4-6-11(12)10-13(15)19/h4-7,13,15,17,19H,8-10H2,1-3H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyRJSVXGBKFCRGCK-DZGCQCFKSA-N
MW276.38 g/mol
LogP1.54
Rot. Bonds4

About 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 107222190) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID107222190
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCC(C)(C)NCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H24N2O2/c1-16(2,3)17-9-8-14(20)18-15-12-7-5-4-6-11(12)10-13(15)19/h4-7,13,15,17,19H,8-10H2,1-3H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyRJSVXGBKFCRGCK-DZGCQCFKSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 111658786
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
CID 114028589
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (CID 107222190) is 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is CC(C)(C)NCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is RJSVXGBKFCRGCK-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)17-9-8-14(20)18-15-12-7-5-4-6-11(12)10-13(15)19/h4-7,13,15,17,19H,8-10H2,1-3H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 107222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).