N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide

C22H26N2O2 — CID 134345086

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
SMILESO=C(CCC(O)NC1CCc2ccccc21)NC1CCc2ccccc21
InChIInChI=1S/C22H26N2O2/c25-21(23-19-11-9-15-5-1-3-7-17(15)19)13-14-22(26)24-20-12-10-16-6-2-4-8-18(16)20/h1-8,19-21,23,25H,9-14H2,(H,24,26)
InChIKeyPJYYOCYYXSXQMG-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.17
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide

N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide (PubChem CID 134345086) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
PubChem CID134345086
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
SMILESO=C(CCC(O)NC1CCc2ccccc21)NC1CCc2ccccc21
InChIInChI=1S/C22H26N2O2/c25-21(23-19-11-9-15-5-1-3-7-17(15)19)13-14-22(26)24-20-12-10-16-6-2-4-8-18(16)20/h1-8,19-21,23,25H,9-14H2,(H,24,26)
InChIKeyPJYYOCYYXSXQMG-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 153328550
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166244952
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide (CID 134345086) is N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide is O=C(CCC(O)NC1CCc2ccccc21)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide?
The InChIKey is PJYYOCYYXSXQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(23-19-11-9-15-5-1-3-7-17(15)19)13-14-22(26)24-20-12-10-16-6-2-4-8-18(16)20/h1-8,19-21,23,25H,9-14H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide has a molecular weight of 350.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide is sourced from PubChem (CID 134345086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).