N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide

C16H23NO2 — CID 72687598

IUPACN-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
SMILESCCC(C)C(C)N(C(=O)C=Cc1ccco1)C1CC1
InChIInChI=1S/C16H23NO2/c1-4-12(2)13(3)17(14-7-8-14)16(18)10-9-15-6-5-11-19-15/h5-6,9-14H,4,7-8H2,1-3H3
InChIKeyBXYOMYXKOAJINU-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.72
Rot. Bonds6

About N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide

N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide (PubChem CID 72687598) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
PubChem CID72687598
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
SMILESCCC(C)C(C)N(C(=O)C=Cc1ccco1)C1CC1
InChIInChI=1S/C16H23NO2/c1-4-12(2)13(3)17(14-7-8-14)16(18)10-9-15-6-5-11-19-15/h5-6,9-14H,4,7-8H2,1-3H3
InChIKeyBXYOMYXKOAJINU-UHFFFAOYSA-N
XLogP3.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.72
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

N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 72687651
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 60576849
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 104974227
(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
CID 90606971
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
2-[3-(furan-2-yl)prop-2-enoyl-(oxan-4-yl)amino]acetic acid
CID 126772951
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
3-[cyclohexyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
CID 82326281

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide?
The IUPAC name of N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide (CID 72687598) is N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide?
The canonical SMILES for N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide is CCC(C)C(C)N(C(=O)C=Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide?
The InChIKey is BXYOMYXKOAJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-12(2)13(3)17(14-7-8-14)16(18)10-9-15-6-5-11-19-15/h5-6,9-14H,4,7-8H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide?
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide has a molecular weight of 261.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 72687598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).