(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C16H23NO3 — CID 115673344

IUPAC(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(O)CCN(C)C(=O)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C16H23NO3/c1-11-10-14(11)15-6-4-13(20-15)5-7-16(19)17(3)9-8-12(2)18/h4-7,11-12,14,18H,8-10H2,1-3H3/b7-5+
InChIKeyDRQQOYIUTHJKED-FNORWQNLSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds6

About (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 115673344) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID115673344
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(O)CCN(C)C(=O)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C16H23NO3/c1-11-10-14(11)15-6-4-13(20-15)5-7-16(19)17(3)9-8-12(2)18/h4-7,11-12,14,18H,8-10H2,1-3H3/b7-5+
InChIKeyDRQQOYIUTHJKED-FNORWQNLSA-N
XLogP2.65
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide
CID 94480432
(3S)-N-methyl-3-(5-methylfuran-2-yl)-N-[(3-methyloxetan-3-yl)methyl]butan-1-amine
CID 129609059
5-[[5-(2-Fluorophenyl)furan-2-yl]methylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 5224060
5-{[5-(2-Fluorophenyl)(2-furyl)]methylene}-1-(3-hydroxypropyl)-4-methyl-2,6-di oxohydropyridine-3-carbonitrile
CID 6306365
(5Z)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 16434140
(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 21213839
(E)-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 45872108
(E)-N-butyl-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 55763532
1-[2-(4-Fluorophenyl)morpholin-4-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 72054028
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 72174005
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726275
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 103730683

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 115673344) is (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC(O)CCN(C)C(=O)/C=C/c1ccc(C2CC2C)o1.
What is the InChIKey of (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is DRQQOYIUTHJKED-FNORWQNLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-10-14(11)15-6-4-13(20-15)5-7-16(19)17(3)9-8-12(2)18/h4-7,11-12,14,18H,8-10H2,1-3H3/b7-5+.
What are the key properties of (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 115673344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).