(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide

C16H24N2O3 — CID 90606971

IUPAC(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
SMILESCN(C)CCN(C(=O)/C=C/c1ccco1)C1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-17(2)9-10-18(14-7-12-20-13-8-14)16(19)6-5-15-4-3-11-21-15/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-5+
InChIKeyAXYFTBXMHOEUFX-AATRIKPKSA-N
MW292.38 g/mol
LogP1.86
Rot. Bonds6

About (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide

(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide (PubChem CID 90606971) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
PubChem CID90606971
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
SMILESCN(C)CCN(C(=O)/C=C/c1ccco1)C1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-17(2)9-10-18(14-7-12-20-13-8-14)16(19)6-5-15-4-3-11-21-15/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-5+
InChIKeyAXYFTBXMHOEUFX-AATRIKPKSA-N
XLogP1.86
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(furan-2-yl)prop-2-enoyl-(oxan-4-yl)amino]acetic acid
CID 126772951
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
3-[cyclohexyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
CID 82326281
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)prop-2-enamide
CID 90607056
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 102603881
(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 104974227
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 72687598
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
(E)-3-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)prop-2-enamide
CID 71801511
(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 155996619

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide (CID 90606971) is (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide is CN(C)CCN(C(=O)/C=C/c1ccco1)C1CCOCC1.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide?
The InChIKey is AXYFTBXMHOEUFX-AATRIKPKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)9-10-18(14-7-12-20-13-8-14)16(19)6-5-15-4-3-11-21-15/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-5+.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide?
(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide has a molecular weight of 292.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide is sourced from PubChem (CID 90606971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).