(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide

C16H25NO2 — CID 50983253

IUPAC(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide
SMILESCC/C=C/CC(=O)N(Cc1ccco1)C(C)C(C)C
InChIInChI=1S/C16H25NO2/c1-5-6-7-10-16(18)17(14(4)13(2)3)12-15-9-8-11-19-15/h6-9,11,13-14H,5,10,12H2,1-4H3/b7-6+
InChIKeyDNLATLZRJJRIDC-VOTSOKGWSA-N
MW263.38 g/mol
LogP4.01
Rot. Bonds7

About (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide

(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide (PubChem CID 50983253) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide
PubChem CID50983253
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide
SMILESCC/C=C/CC(=O)N(Cc1ccco1)C(C)C(C)C
InChIInChI=1S/C16H25NO2/c1-5-6-7-10-16(18)17(14(4)13(2)3)12-15-9-8-11-19-15/h6-9,11,13-14H,5,10,12H2,1-4H3/b7-6+
InChIKeyDNLATLZRJJRIDC-VOTSOKGWSA-N
XLogP4.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
CID 112501488
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 46982169
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46999123
ethyl (E)-5-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hex-2-enoate
CID 101271254
ethyl (E)-4-[benzoyl(furan-2-ylmethyl)amino]-5-methylhex-2-enoate
CID 100945168
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 50949917
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94599867
(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
CID 96518313

Frequently Asked Questions

What is the IUPAC name of (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide (CID 50983253) is (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide is CC/C=C/CC(=O)N(Cc1ccco1)C(C)C(C)C.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide?
The InChIKey is DNLATLZRJJRIDC-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-7-10-16(18)17(14(4)13(2)3)12-15-9-8-11-19-15/h6-9,11,13-14H,5,10,12H2,1-4H3/b7-6+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide?
(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide has a molecular weight of 263.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide is sourced from PubChem (CID 50983253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).