(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide

C14H15NO4 — CID 97106207

IUPAC(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC[C@H](O)c1ccoc1
InChIInChI=1S/C14H15NO4/c16-13(11-6-9-18-10-11)5-7-15-14(17)4-3-12-2-1-8-19-12/h1-4,6,8-10,13,16H,5,7H2,(H,15,17)/b4-3+/t13-/m0/s1
InChIKeyVYBOJCMRDBJXEK-OOPCZODUSA-N
MW261.28 g/mol
LogP2.13
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide (PubChem CID 97106207) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
PubChem CID97106207
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC[C@H](O)c1ccoc1
InChIInChI=1S/C14H15NO4/c16-13(11-6-9-18-10-11)5-7-15-14(17)4-3-12-2-1-8-19-12/h1-4,6,8-10,13,16H,5,7H2,(H,15,17)/b4-3+/t13-/m0/s1
InChIKeyVYBOJCMRDBJXEK-OOPCZODUSA-N
XLogP2.13
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804398
(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804425
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112127
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 171137175
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide (CID 97106207) is (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCC[C@H](O)c1ccoc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
The InChIKey is VYBOJCMRDBJXEK-OOPCZODUSA-N. The full InChI is InChI=1S/C14H15NO4/c16-13(11-6-9-18-10-11)5-7-15-14(17)4-3-12-2-1-8-19-12/h1-4,6,8-10,13,16H,5,7H2,(H,15,17)/b4-3+/t13-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide has a molecular weight of 261.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 97106207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).