N-(6-phenylhexyl)formamide

C13H19NO — CID 25180077

IUPACN-(6-phenylhexyl)formamide
SMILESO=CNCCCCCCc1ccccc1
InChIInChI=1S/C13H19NO/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H,14,15)
InChIKeyWHMNUMPJONLROB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.54
Rot. Bonds8

About N-(6-phenylhexyl)formamide

N-(6-phenylhexyl)formamide (PubChem CID 25180077) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(6-phenylhexyl)formamide.

Molecular Properties

Compound NameN-(6-phenylhexyl)formamide
PubChem CID25180077
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(6-phenylhexyl)formamide
SMILESO=CNCCCCCCc1ccccc1
InChIInChI=1S/C13H19NO/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H,14,15)
InChIKeyWHMNUMPJONLROB-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
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

methane;N-(2-phenylethyl)formamide
CID 143644399
N-(9-phenylnon-2-enyl)formamide
CID 123527841
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
ethanamine;N-(2-phenylethyl)formamide;propane
CID 143077311
N-methyl-9-phenylnonan-1-amine
CID 10609702
4-phenylbutylbenzene
CID 141301927
8-phenyloctylcarbamic acid
CID 90271205
11-phenyl-N-undecylundecan-1-amine
CID 175593224
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N-(4-phenylbutyl)hexan-1-amine
CID 54151992

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylhexyl)formamide?
The IUPAC name of N-(6-phenylhexyl)formamide (CID 25180077) is N-(6-phenylhexyl)formamide.
What is the SMILES notation for N-(6-phenylhexyl)formamide?
The canonical SMILES for N-(6-phenylhexyl)formamide is O=CNCCCCCCc1ccccc1.
What is the InChIKey of N-(6-phenylhexyl)formamide?
The InChIKey is WHMNUMPJONLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H,14,15).
What are the key properties of N-(6-phenylhexyl)formamide?
N-(6-phenylhexyl)formamide has a molecular weight of 205.30 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylhexyl)formamide is sourced from PubChem (CID 25180077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).