N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide

C22H35NO — CID 23624795

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-7-8-9-10-18-22(24)23-21-17-13-15-19-14-11-12-16-20(19)21/h11-12,14,16,21H,2-10,13,15,17-18H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyGZPMTKZUWNQQIO-NRFANRHFSA-N
MW329.53 g/mol
LogP6.10
Rot. Bonds11

About N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide (PubChem CID 23624795) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
PubChem CID23624795
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-7-8-9-10-18-22(24)23-21-17-13-15-19-14-11-12-16-20(19)21/h11-12,14,16,21H,2-10,13,15,17-18H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyGZPMTKZUWNQQIO-NRFANRHFSA-N
XLogP6.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 56.10
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)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42698686
3-[2-hydroxyethyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110892171
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 143041747

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide (CID 23624795) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide?
The InChIKey is GZPMTKZUWNQQIO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H35NO/c1-2-3-4-5-6-7-8-9-10-18-22(24)23-21-17-13-15-19-14-11-12-16-20(19)21/h11-12,14,16,21H,2-10,13,15,17-18H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide has a molecular weight of 329.53 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide is sourced from PubChem (CID 23624795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).