N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide

C16H29N3O2 — CID 71974441

IUPACN-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
SMILESCCC1(CNC(=O)NCCCNC(=O)C2CCC2)CCC1
InChIInChI=1S/C16H29N3O2/c1-2-16(8-4-9-16)12-19-15(21)18-11-5-10-17-14(20)13-6-3-7-13/h13H,2-12H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyIDYDOCBCKBABCB-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.17
Rot. Bonds8

About N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide

N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide (PubChem CID 71974441) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
PubChem CID71974441
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
SMILESCCC1(CNC(=O)NCCCNC(=O)C2CCC2)CCC1
InChIInChI=1S/C16H29N3O2/c1-2-16(8-4-9-16)12-19-15(21)18-11-5-10-17-14(20)13-6-3-7-13/h13H,2-12H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyIDYDOCBCKBABCB-UHFFFAOYSA-N
XLogP2.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
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-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide (CID 71974441) is N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide is CCC1(CNC(=O)NCCCNC(=O)C2CCC2)CCC1.
What is the InChIKey of N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
The InChIKey is IDYDOCBCKBABCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-16(8-4-9-16)12-19-15(21)18-11-5-10-17-14(20)13-6-3-7-13/h13H,2-12H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide?
N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 71974441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).