4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide

C16H25N3O4 — CID 102561694

IUPAC4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C16H25N3O4/c1-2-3-8-19-9-11-22-12-13(19)15(20)17-6-7-18-16(21)14-5-4-10-23-14/h4-5,10,13H,2-3,6-9,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyBFIHUCFKPCUABF-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.63
Rot. Bonds8

About 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide

4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide (PubChem CID 102561694) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide
PubChem CID102561694
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C16H25N3O4/c1-2-3-8-19-9-11-22-12-13(19)15(20)17-6-7-18-16(21)14-5-4-10-23-14/h4-5,10,13H,2-3,6-9,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyBFIHUCFKPCUABF-UHFFFAOYSA-N
XLogP0.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzylsulfonyl-4-butylmorpholine-3-carboxamide
CID 119051162
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83102944
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
CID 83097968
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide?
The IUPAC name of 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide (CID 102561694) is 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide is CCCCN1CCOCC1C(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide?
The InChIKey is BFIHUCFKPCUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-2-3-8-19-9-11-22-12-13(19)15(20)17-6-7-18-16(21)14-5-4-10-23-14/h4-5,10,13H,2-3,6-9,11-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide?
4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(furan-2-carbonylamino)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 102561694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).