6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide

C14H20N2O3 — CID 59509588

IUPAC6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H20N2O3/c1-15-13(17)7-3-2-4-10-16-14(18)9-8-12-6-5-11-19-12/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,17)(H,16,18)/b9-8+
InChIKeyHAMRTXLSPBIBRP-CMDGGOBGSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds8

About 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide

6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide (PubChem CID 59509588) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide.

Molecular Properties

Compound Name6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
PubChem CID59509588
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H20N2O3/c1-15-13(17)7-3-2-4-10-16-14(18)9-8-12-6-5-11-19-12/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,17)(H,16,18)/b9-8+
InChIKeyHAMRTXLSPBIBRP-CMDGGOBGSA-N
XLogP1.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N'-dipentylpentanediamide
CID 13421042
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135
N-(3-benzylsulfonylpropyl)-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55843117

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide?
The IUPAC name of 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide (CID 59509588) is 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide.
What is the SMILES notation for 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide?
The canonical SMILES for 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide is CNC(=O)CCCCCNC(=O)/C=C/c1ccco1.
What is the InChIKey of 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide?
The InChIKey is HAMRTXLSPBIBRP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-13(17)7-3-2-4-10-16-14(18)9-8-12-6-5-11-19-12/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,17)(H,16,18)/b9-8+.
What are the key properties of 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide?
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide has a molecular weight of 264.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide is sourced from PubChem (CID 59509588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).