N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine

C23H30N2O — CID 156839471

IUPACN-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine
SMILESO=CNc1ccc(C2CCCCC2)cc1.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C13H17NO.C10H13N/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-2-4-9(5-3-1)10-6-7-11-8-10/h6-11H,1-5H2,(H,14,15);1-5,10-11H,6-8H2
InChIKeyKATHYGFLKJCPRV-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.07
Rot. Bonds4

About N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine

N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine (PubChem CID 156839471) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine
PubChem CID156839471
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine
SMILESO=CNc1ccc(C2CCCCC2)cc1.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C13H17NO.C10H13N/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-2-4-9(5-3-1)10-6-7-11-8-10/h6-11H,1-5H2,(H,14,15);1-5,10-11H,6-8H2
InChIKeyKATHYGFLKJCPRV-UHFFFAOYSA-N
XLogP5.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-phenylpyrrolidine
CID 91032726
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4-phenylazocane
CID 19847318
CID 159076923
CID 159076923
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
N-phenylformamide;pyrrolidine
CID 19102236
4-(4-cyclohexylphenyl)azepane
CID 82300190
1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
3-(4-cyclohexylphenyl)azetidine;hydrochloride
CID 154791480
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine?
The IUPAC name of N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine (CID 156839471) is N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine.
What is the SMILES notation for N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine?
The canonical SMILES for N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine is O=CNc1ccc(C2CCCCC2)cc1.c1ccc(C2CCNC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine?
The InChIKey is KATHYGFLKJCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C10H13N/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-2-4-9(5-3-1)10-6-7-11-8-10/h6-11H,1-5H2,(H,14,15);1-5,10-11H,6-8H2.
What are the key properties of N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine?
N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine has a molecular weight of 350.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine is sourced from PubChem (CID 156839471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).