N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide

C18H26N2O2 — CID 2225450

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-8-17(21)19-16-11-9-15(10-12-16)18(22)20-13-6-7-14-20/h9-12H,2-8,13-14H2,1H3,(H,19,21)
InChIKeyCRQXVMIKIMPCJM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.83
Rot. Bonds7

About N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide (PubChem CID 2225450) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide
PubChem CID2225450
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-8-17(21)19-16-11-9-15(10-12-16)18(22)20-13-6-7-14-20/h9-12H,2-8,13-14H2,1H3,(H,19,21)
InChIKeyCRQXVMIKIMPCJM-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide (CID 2225450) is N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide?
The InChIKey is CRQXVMIKIMPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-3-4-5-8-17(21)19-16-11-9-15(10-12-16)18(22)20-13-6-7-14-20/h9-12H,2-8,13-14H2,1H3,(H,19,21).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide has a molecular weight of 302.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]heptanamide is sourced from PubChem (CID 2225450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).