butyl 3-(furan-3-carbonylamino)propanoate

C12H17NO4 — CID 112727943

IUPACbutyl 3-(furan-3-carbonylamino)propanoate
SMILESCCCCOC(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C12H17NO4/c1-2-3-7-17-11(14)4-6-13-12(15)10-5-8-16-9-10/h5,8-9H,2-4,6-7H2,1H3,(H,13,15)
InChIKeyIOQFMMNUXWIGCZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.74
Rot. Bonds7

About butyl 3-(furan-3-carbonylamino)propanoate

butyl 3-(furan-3-carbonylamino)propanoate (PubChem CID 112727943) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is butyl 3-(furan-3-carbonylamino)propanoate.

Molecular Properties

Compound Namebutyl 3-(furan-3-carbonylamino)propanoate
PubChem CID112727943
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namebutyl 3-(furan-3-carbonylamino)propanoate
SMILESCCCCOC(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C12H17NO4/c1-2-3-7-17-11(14)4-6-13-12(15)10-5-8-16-9-10/h5,8-9H,2-4,6-7H2,1H3,(H,13,15)
InChIKeyIOQFMMNUXWIGCZ-UHFFFAOYSA-N
XLogP1.74
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentylfuran-3-carboxamide
CID 91139562
N-decylfuran-3-carboxamide
CID 117059205
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
octyl 3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 91726390
pentyl 3-[3-[(4-methylbenzoyl)amino]propanoylamino]propanoate
CID 91710666
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
(2-butoxy-2-oxoethyl) 3-[(4-nitrobenzoyl)amino]propanoate
CID 18269497
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386

Frequently Asked Questions

What is the IUPAC name of butyl 3-(furan-3-carbonylamino)propanoate?
The IUPAC name of butyl 3-(furan-3-carbonylamino)propanoate (CID 112727943) is butyl 3-(furan-3-carbonylamino)propanoate.
What is the SMILES notation for butyl 3-(furan-3-carbonylamino)propanoate?
The canonical SMILES for butyl 3-(furan-3-carbonylamino)propanoate is CCCCOC(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of butyl 3-(furan-3-carbonylamino)propanoate?
The InChIKey is IOQFMMNUXWIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-3-7-17-11(14)4-6-13-12(15)10-5-8-16-9-10/h5,8-9H,2-4,6-7H2,1H3,(H,13,15).
What are the key properties of butyl 3-(furan-3-carbonylamino)propanoate?
butyl 3-(furan-3-carbonylamino)propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(furan-3-carbonylamino)propanoate is sourced from PubChem (CID 112727943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).