N-hexadecan-4-yl-N-phenylaniline

C28H43N — CID 174670846

IUPACN-hexadecan-4-yl-N-phenylaniline
SMILESCCCCCCCCCCCCC(CCC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H43N/c1-3-5-6-7-8-9-10-11-12-15-21-26(20-4-2)29(27-22-16-13-17-23-27)28-24-18-14-19-25-28/h13-14,16-19,22-26H,3-12,15,20-21H2,1-2H3
InChIKeyMSOPSUHEMSCNCP-UHFFFAOYSA-N
MW393.66 g/mol
LogP9.30
Rot. Bonds16

About N-hexadecan-4-yl-N-phenylaniline

N-hexadecan-4-yl-N-phenylaniline (PubChem CID 174670846) has the molecular formula C28H43N and a molecular weight of 393.66 g/mol. Its IUPAC name is N-hexadecan-4-yl-N-phenylaniline.

Molecular Properties

Compound NameN-hexadecan-4-yl-N-phenylaniline
PubChem CID174670846
Molecular FormulaC28H43N
Molecular Weight393.66 g/mol
Exact Mass393.34
IUPAC NameN-hexadecan-4-yl-N-phenylaniline
SMILESCCCCCCCCCCCCC(CCC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H43N/c1-3-5-6-7-8-9-10-11-12-15-21-26(20-4-2)29(27-22-16-13-17-23-27)28-24-18-14-19-25-28/h13-14,16-19,22-26H,3-12,15,20-21H2,1-2H3
InChIKeyMSOPSUHEMSCNCP-UHFFFAOYSA-N
XLogP9.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-nonadecan-10-yl-N-phenylaniline
CID 175110004
1-hexadecan-4-yl-1-phenylhydrazine
CID 175509385
1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
CID 165044391
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
CID 10893099
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
(1R)-1-phenyloctan-1-ol
CID 12794259
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
1-bromododecan-2-ylbenzene
CID 66043461
1-phenylheptylphosphane
CID 174874892
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of N-hexadecan-4-yl-N-phenylaniline?
The IUPAC name of N-hexadecan-4-yl-N-phenylaniline (CID 174670846) is N-hexadecan-4-yl-N-phenylaniline.
What is the SMILES notation for N-hexadecan-4-yl-N-phenylaniline?
The canonical SMILES for N-hexadecan-4-yl-N-phenylaniline is CCCCCCCCCCCCC(CCC)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-hexadecan-4-yl-N-phenylaniline?
The InChIKey is MSOPSUHEMSCNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N/c1-3-5-6-7-8-9-10-11-12-15-21-26(20-4-2)29(27-22-16-13-17-23-27)28-24-18-14-19-25-28/h13-14,16-19,22-26H,3-12,15,20-21H2,1-2H3.
What are the key properties of N-hexadecan-4-yl-N-phenylaniline?
N-hexadecan-4-yl-N-phenylaniline has a molecular weight of 393.66 g/mol, XLogP of 9.30, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecan-4-yl-N-phenylaniline is sourced from PubChem (CID 174670846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).