N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide

C16H20N2O2 — CID 102245727

IUPACN-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(NCCCCNC(=O)C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C16H20N2O2/c19-15(13-7-1-2-8-13)17-11-5-6-12-18-16(20)14-9-3-4-10-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,17,19)(H,18,20)
InChIKeySEHXRNYJNLYINP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds7

About N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide

N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide (PubChem CID 102245727) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide
PubChem CID102245727
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(NCCCCNC(=O)C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C16H20N2O2/c19-15(13-7-1-2-8-13)17-11-5-6-12-18-16(20)14-9-3-4-10-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,17,19)(H,18,20)
InChIKeySEHXRNYJNLYINP-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
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-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide (CID 102245727) is N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide is O=C(NCCCCNC(=O)C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is SEHXRNYJNLYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(13-7-1-2-8-13)17-11-5-6-12-18-16(20)14-9-3-4-10-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide?
N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopenta-2,4-diene-1-carbonylamino)butyl]cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 102245727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).