(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide

C13H19NO2 — CID 98205277

IUPAC(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)N[C@H](C)Cc1ccco1
InChIInChI=1S/C13H19NO2/c1-4-6-10(2)13(15)14-11(3)9-12-7-5-8-16-12/h5-8,11H,4,9H2,1-3H3,(H,14,15)/b10-6+/t11-/m1/s1
InChIKeyLFOFZKBLJQIFMX-CDCCAWJDSA-N
MW221.30 g/mol
LogP2.68
Rot. Bonds5

About (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide

(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide (PubChem CID 98205277) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
PubChem CID98205277
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)N[C@H](C)Cc1ccco1
InChIInChI=1S/C13H19NO2/c1-4-6-10(2)13(15)14-11(3)9-12-7-5-8-16-12/h5-8,11H,4,9H2,1-3H3,(H,14,15)/b10-6+/t11-/m1/s1
InChIKeyLFOFZKBLJQIFMX-CDCCAWJDSA-N
XLogP2.68
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
methyl (E)-4-[1-(furan-2-yl)propan-2-ylamino]-2-methylbut-2-enoate
CID 103242394
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
N'-[1-(furan-2-yl)propan-2-yl]-N-(2-methylphenyl)oxamide
CID 121084178
N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
2-amino-N-[1-(furan-2-yl)propan-2-yl]pentanamide
CID 43705248
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide?
The IUPAC name of (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide (CID 98205277) is (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide is CC/C=C(\C)C(=O)N[C@H](C)Cc1ccco1.
What is the InChIKey of (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide?
The InChIKey is LFOFZKBLJQIFMX-CDCCAWJDSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-6-10(2)13(15)14-11(3)9-12-7-5-8-16-12/h5-8,11H,4,9H2,1-3H3,(H,14,15)/b10-6+/t11-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide?
(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide has a molecular weight of 221.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide is sourced from PubChem (CID 98205277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).