N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide

C15H24N4O2 — CID 75377741

IUPACN-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNC(=O)C1CCC1)NCCn1cccc1
InChIInChI=1S/C15H24N4O2/c20-14(13-5-3-6-13)16-7-4-8-17-15(21)18-9-12-19-10-1-2-11-19/h1-2,10-11,13H,3-9,12H2,(H,16,20)(H2,17,18,21)
InChIKeyBEJKZXBMXXSSHE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.09
Rot. Bonds8

About N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide

N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide (PubChem CID 75377741) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide
PubChem CID75377741
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNC(=O)C1CCC1)NCCn1cccc1
InChIInChI=1S/C15H24N4O2/c20-14(13-5-3-6-13)16-7-4-8-17-15(21)18-9-12-19-10-1-2-11-19/h1-2,10-11,13H,3-9,12H2,(H,16,20)(H2,17,18,21)
InChIKeyBEJKZXBMXXSSHE-UHFFFAOYSA-N
XLogP1.09
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide (CID 75377741) is N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide is O=C(NCCCNC(=O)C1CCC1)NCCn1cccc1.
What is the InChIKey of N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide?
The InChIKey is BEJKZXBMXXSSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-14(13-5-3-6-13)16-7-4-8-17-15(21)18-9-12-19-10-1-2-11-19/h1-2,10-11,13H,3-9,12H2,(H,16,20)(H2,17,18,21).
What are the key properties of N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide?
N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 75377741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).