(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide

C15H23NO2 — CID 6000305

IUPAC(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C15H23NO2/c1-12(2)10-16(11-13(3)4)15(17)8-7-14-6-5-9-18-14/h5-9,12-13H,10-11H2,1-4H3/b8-7+
InChIKeyRCSLKARAEXQDJY-BQYQJAHWSA-N
MW249.35 g/mol
LogP3.43
Rot. Bonds6

About (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide

(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide (PubChem CID 6000305) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
PubChem CID6000305
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C15H23NO2/c1-12(2)10-16(11-13(3)4)15(17)8-7-14-6-5-9-18-14/h5-9,12-13H,10-11H2,1-4H3/b8-7+
InChIKeyRCSLKARAEXQDJY-BQYQJAHWSA-N
XLogP3.43
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82326317
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 171147067
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
2-[3-(furan-2-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79256893
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-propylamino]acetate
CID 54941749
N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 103597968

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide (CID 6000305) is (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide is CC(C)CN(CC(C)C)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The InChIKey is RCSLKARAEXQDJY-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)10-16(11-13(3)4)15(17)8-7-14-6-5-9-18-14/h5-9,12-13H,10-11H2,1-4H3/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide has a molecular weight of 249.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 6000305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).