N-(3-anilinopropyl)nonanamide

C18H30N2O — CID 56586452

IUPACN-(3-anilinopropyl)nonanamide
SMILESCCCCCCCCC(=O)NCCCNc1ccccc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-10-14-18(21)20-16-11-15-19-17-12-8-7-9-13-17/h7-9,12-13,19H,2-6,10-11,14-16H2,1H3,(H,20,21)
InChIKeyDQYQZFRGRXIDGY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.36
Rot. Bonds12

About N-(3-anilinopropyl)nonanamide

N-(3-anilinopropyl)nonanamide (PubChem CID 56586452) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(3-anilinopropyl)nonanamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)nonanamide
PubChem CID56586452
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(3-anilinopropyl)nonanamide
SMILESCCCCCCCCC(=O)NCCCNc1ccccc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-10-14-18(21)20-16-11-15-19-17-12-8-7-9-13-17/h7-9,12-13,19H,2-6,10-11,14-16H2,1H3,(H,20,21)
InChIKeyDQYQZFRGRXIDGY-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.36
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-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-nonadecylaniline
CID 54509054
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
N-(4-phenylbutyl)hexanamide
CID 4985988
N-heptylaniline;hydrate
CID 174886464
S-[2-(hexadecanoylamino)ethyl] N-phenylcarbamothioate
CID 58663793
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)nonanamide?
The IUPAC name of N-(3-anilinopropyl)nonanamide (CID 56586452) is N-(3-anilinopropyl)nonanamide.
What is the SMILES notation for N-(3-anilinopropyl)nonanamide?
The canonical SMILES for N-(3-anilinopropyl)nonanamide is CCCCCCCCC(=O)NCCCNc1ccccc1.
What is the InChIKey of N-(3-anilinopropyl)nonanamide?
The InChIKey is DQYQZFRGRXIDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-10-14-18(21)20-16-11-15-19-17-12-8-7-9-13-17/h7-9,12-13,19H,2-6,10-11,14-16H2,1H3,(H,20,21).
What are the key properties of N-(3-anilinopropyl)nonanamide?
N-(3-anilinopropyl)nonanamide has a molecular weight of 290.45 g/mol, XLogP of 4.36, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)nonanamide is sourced from PubChem (CID 56586452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).