N-(3-hexylimino-1-phenylpropyl)formamide

C16H24N2O — CID 87925374

IUPACN-(3-hexylimino-1-phenylpropyl)formamide
SMILESCCCCCC/N=C/CC(NC=O)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-4-8-12-17-13-11-16(18-14-19)15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,2-4,8,11-12H2,1H3,(H,18,19)/b17-13+
InChIKeyYAKIUJUXXSHXHY-GHRIWEEISA-N
MW260.38 g/mol
LogP3.51
Rot. Bonds10

About N-(3-hexylimino-1-phenylpropyl)formamide

N-(3-hexylimino-1-phenylpropyl)formamide (PubChem CID 87925374) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-hexylimino-1-phenylpropyl)formamide.

Molecular Properties

Compound NameN-(3-hexylimino-1-phenylpropyl)formamide
PubChem CID87925374
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-hexylimino-1-phenylpropyl)formamide
SMILESCCCCCC/N=C/CC(NC=O)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-4-8-12-17-13-11-16(18-14-19)15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,2-4,8,11-12H2,1H3,(H,18,19)/b17-13+
InChIKeyYAKIUJUXXSHXHY-GHRIWEEISA-N
XLogP3.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide
CID 155137580
N-(5-phenylhexyl)hexan-1-imine
CID 91399547
N-(2-ethyl-1-phenylhexyl)formamide
CID 138546224
4-(hexyliminomethyl)benzaldehyde
CID 87557780
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal
CID 134907233
1-phenylnonylcarbamic acid
CID 67252081
N-(1-phenylpentyl)octan-2-amine
CID 43791089
1-phenyloctylcarbamic acid
CID 90271204
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309

Frequently Asked Questions

What is the IUPAC name of N-(3-hexylimino-1-phenylpropyl)formamide?
The IUPAC name of N-(3-hexylimino-1-phenylpropyl)formamide (CID 87925374) is N-(3-hexylimino-1-phenylpropyl)formamide.
What is the SMILES notation for N-(3-hexylimino-1-phenylpropyl)formamide?
The canonical SMILES for N-(3-hexylimino-1-phenylpropyl)formamide is CCCCCC/N=C/CC(NC=O)c1ccccc1.
What is the InChIKey of N-(3-hexylimino-1-phenylpropyl)formamide?
The InChIKey is YAKIUJUXXSHXHY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-8-12-17-13-11-16(18-14-19)15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,2-4,8,11-12H2,1H3,(H,18,19)/b17-13+.
What are the key properties of N-(3-hexylimino-1-phenylpropyl)formamide?
N-(3-hexylimino-1-phenylpropyl)formamide has a molecular weight of 260.38 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexylimino-1-phenylpropyl)formamide is sourced from PubChem (CID 87925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).