N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide

C18H32N2O2 — CID 3636547

IUPACN-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide
SMILESO=C(NCCCCCCNC(=O)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H32N2O2/c21-17(15-9-3-4-10-15)19-13-7-1-2-8-14-20-18(22)16-11-5-6-12-16/h15-16H,1-14H2,(H,19,21)(H,20,22)
InChIKeyZXCRPAMACPFUJD-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.16
Rot. Bonds9

About N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide

N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide (PubChem CID 3636547) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide
PubChem CID3636547
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide
SMILESO=C(NCCCCCCNC(=O)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H32N2O2/c21-17(15-9-3-4-10-15)19-13-7-1-2-8-14-20-18(22)16-11-5-6-12-16/h15-16H,1-14H2,(H,19,21)(H,20,22)
InChIKeyZXCRPAMACPFUJD-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
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-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide?
The IUPAC name of N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide (CID 3636547) is N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide is O=C(NCCCCCCNC(=O)C1CCCC1)C1CCCC1.
What is the InChIKey of N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide?
The InChIKey is ZXCRPAMACPFUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17(15-9-3-4-10-15)19-13-7-1-2-8-14-20-18(22)16-11-5-6-12-16/h15-16H,1-14H2,(H,19,21)(H,20,22).
What are the key properties of N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide?
N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentanecarbonylamino)hexyl]cyclopentanecarboxamide is sourced from PubChem (CID 3636547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).