N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide

C16H29N3O3 — CID 2917565

IUPACN-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCCCN1CCOCC1
InChIInChI=1S/C16H29N3O3/c20-15(13-18-16(21)14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h14H,1-13H2,(H,17,20)(H,18,21)
InChIKeyZTTPAQWSEFROBM-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.52
Rot. Bonds7

About N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2917565) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2917565
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCCCN1CCOCC1
InChIInChI=1S/C16H29N3O3/c20-15(13-18-16(21)14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h14H,1-13H2,(H,17,20)(H,18,21)
InChIKeyZTTPAQWSEFROBM-UHFFFAOYSA-N
XLogP0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 2917565) is N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NCCCN1CCOCC1.
What is the InChIKey of N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is ZTTPAQWSEFROBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c20-15(13-18-16(21)14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h14H,1-13H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2917565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).