N,N-bis(4-hexylphenyl)formamide

C25H35NO — CID 88551243

IUPACN,N-bis(4-hexylphenyl)formamide
SMILESCCCCCCc1ccc(N(C=O)c2ccc(CCCCCC)cc2)cc1
InChIInChI=1S/C25H35NO/c1-3-5-7-9-11-22-13-17-24(18-14-22)26(21-27)25-19-15-23(16-20-25)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3
InChIKeyFSPYDQVBHBZVJQ-UHFFFAOYSA-N
MW365.56 g/mol
LogP7.23
Rot. Bonds13

About N,N-bis(4-hexylphenyl)formamide

N,N-bis(4-hexylphenyl)formamide (PubChem CID 88551243) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is N,N-bis(4-hexylphenyl)formamide.

Molecular Properties

Compound NameN,N-bis(4-hexylphenyl)formamide
PubChem CID88551243
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC NameN,N-bis(4-hexylphenyl)formamide
SMILESCCCCCCc1ccc(N(C=O)c2ccc(CCCCCC)cc2)cc1
InChIInChI=1S/C25H35NO/c1-3-5-7-9-11-22-13-17-24(18-14-22)26(21-27)25-19-15-23(16-20-25)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3
InChIKeyFSPYDQVBHBZVJQ-UHFFFAOYSA-N
XLogP7.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
4-heptyl-N,N-dimethylaniline
CID 20777180
1-butyl-4-nonylbenzene
CID 59545302
N,N-dichloro-4-hexylaniline
CID 87850897
4-nonyl-N,N-bis(phosphanyl)aniline
CID 169286153
4-heptyl-N,N-bis(phosphanyl)aniline
CID 169286189
N-butyl-N-(4-hexylphenyl)formamide;2,5-dimethylhexa-2,4-diene;propane
CID 143730774
formamide;hexadecylbenzene;propane
CID 162756092

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-hexylphenyl)formamide?
The IUPAC name of N,N-bis(4-hexylphenyl)formamide (CID 88551243) is N,N-bis(4-hexylphenyl)formamide.
What is the SMILES notation for N,N-bis(4-hexylphenyl)formamide?
The canonical SMILES for N,N-bis(4-hexylphenyl)formamide is CCCCCCc1ccc(N(C=O)c2ccc(CCCCCC)cc2)cc1.
What is the InChIKey of N,N-bis(4-hexylphenyl)formamide?
The InChIKey is FSPYDQVBHBZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-3-5-7-9-11-22-13-17-24(18-14-22)26(21-27)25-19-15-23(16-20-25)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3.
What are the key properties of N,N-bis(4-hexylphenyl)formamide?
N,N-bis(4-hexylphenyl)formamide has a molecular weight of 365.56 g/mol, XLogP of 7.23, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-hexylphenyl)formamide is sourced from PubChem (CID 88551243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).