N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide

C21H33NO — CID 23624796

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-15-21(23)22-20-17-16-18-13-11-12-14-19(18)20/h11-14,20H,2-10,15-17H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyZOEIZNOJYZHMMW-FQEVSTJZSA-N
MW315.50 g/mol
LogP5.71
Rot. Bonds11

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide (PubChem CID 23624796) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
PubChem CID23624796
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-15-21(23)22-20-17-16-18-13-11-12-14-19(18)20/h11-14,20H,2-10,15-17H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyZOEIZNOJYZHMMW-FQEVSTJZSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
S-[2-[[6-(2,3-dihydro-1H-inden-1-ylamino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 58608871
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
CID 134345086
N-(2-amino-2,3-dihydro-1H-inden-1-yl)nonanamide
CID 65426628
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide (CID 23624796) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide?
The InChIKey is ZOEIZNOJYZHMMW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-15-21(23)22-20-17-16-18-13-11-12-14-19(18)20/h11-14,20H,2-10,15-17H2,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide has a molecular weight of 315.50 g/mol, XLogP of 5.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide is sourced from PubChem (CID 23624796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).