N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide

C21H36N2O — CID 20977213

IUPACN-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide
SMILESCCCCCCCCC(=O)NCCCc1ccccc1C(C)(C)N
InChIInChI=1S/C21H36N2O/c1-4-5-6-7-8-9-16-20(24)23-17-12-14-18-13-10-11-15-19(18)21(2,3)22/h10-11,13,15H,4-9,12,14,16-17,22H2,1-3H3,(H,23,24)
InChIKeyGTKSJHISXGFNFL-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.68
Rot. Bonds12

About N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide

N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide (PubChem CID 20977213) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide.

Molecular Properties

Compound NameN-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide
PubChem CID20977213
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide
SMILESCCCCCCCCC(=O)NCCCc1ccccc1C(C)(C)N
InChIInChI=1S/C21H36N2O/c1-4-5-6-7-8-9-16-20(24)23-17-12-14-18-13-10-11-15-19(18)21(2,3)22/h10-11,13,15H,4-9,12,14,16-17,22H2,1-3H3,(H,23,24)
InChIKeyGTKSJHISXGFNFL-UHFFFAOYSA-N
XLogP4.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]-2-hydroxyoctadecanamide
CID 88729076
acetic acid;2-(2-octylphenyl)propan-2-amine
CID 173456397
2-(2-octylphenyl)propan-2-amine;hydrobromide
CID 173314591
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
CID 101051335
sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
CID 173446112
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-(3-anilinopropyl)nonanamide
CID 56586452
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide?
The IUPAC name of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide (CID 20977213) is N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide.
What is the SMILES notation for N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide?
The canonical SMILES for N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide is CCCCCCCCC(=O)NCCCc1ccccc1C(C)(C)N.
What is the InChIKey of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide?
The InChIKey is GTKSJHISXGFNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-4-5-6-7-8-9-16-20(24)23-17-12-14-18-13-10-11-15-19(18)21(2,3)22/h10-11,13,15H,4-9,12,14,16-17,22H2,1-3H3,(H,23,24).
What are the key properties of N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide?
N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide has a molecular weight of 332.53 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide is sourced from PubChem (CID 20977213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).