N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane

C22H38N2O2 — CID 142306577

IUPACN-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane
SMILESCCC.COc1ccc2c(c1)CNCC2.O=CNCCC1CCCCC1
InChIInChI=1S/C10H13NO.C9H17NO.C3H8/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;11-8-10-7-6-9-4-2-1-3-5-9;1-3-2/h2-3,6,11H,4-5,7H2,1H3;8-9H,1-7H2,(H,10,11);3H2,1-2H3
InChIKeyKYHINSNAQDCIRD-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.46
Rot. Bonds5

About N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane

N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane (PubChem CID 142306577) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane
PubChem CID142306577
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC NameN-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane
SMILESCCC.COc1ccc2c(c1)CNCC2.O=CNCCC1CCCCC1
InChIInChI=1S/C10H13NO.C9H17NO.C3H8/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;11-8-10-7-6-9-4-2-1-3-5-9;1-3-2/h2-3,6,11H,4-5,7H2,1H3;8-9H,1-7H2,(H,10,11);3H2,1-2H3
InChIKeyKYHINSNAQDCIRD-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane?
The IUPAC name of N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane (CID 142306577) is N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane.
What is the SMILES notation for N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane?
The canonical SMILES for N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane is CCC.COc1ccc2c(c1)CNCC2.O=CNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane?
The InChIKey is KYHINSNAQDCIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C9H17NO.C3H8/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;11-8-10-7-6-9-4-2-1-3-5-9;1-3-2/h2-3,6,11H,4-5,7H2,1H3;8-9H,1-7H2,(H,10,11);3H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane?
N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane has a molecular weight of 362.56 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane is sourced from PubChem (CID 142306577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).