N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H26N2O — CID 2933368

IUPACN-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C18H26N2O/c1-3-20(4-2)16-9-7-15(8-10-16)19-18(21)17-12-13-5-6-14(17)11-13/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyKHTYTECZYNVANU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.91
Rot. Bonds5

About N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2933368) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2933368
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C18H26N2O/c1-3-20(4-2)16-9-7-15(8-10-16)19-18(21)17-12-13-5-6-14(17)11-13/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyKHTYTECZYNVANU-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 2933368) is N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KHTYTECZYNVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20(4-2)16-9-7-15(8-10-16)19-18(21)17-12-13-5-6-14(17)11-13/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2933368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).