N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide

C15H22N2O2 — CID 79711579

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H22N2O2/c1-14(2)12(16)15(3,4)13(14)17-11(18)8-7-10-6-5-9-19-10/h5-9,12-13H,16H2,1-4H3,(H,17,18)
InChIKeyUMHAVCJGAMWPPE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 79711579) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID79711579
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H22N2O2/c1-14(2)12(16)15(3,4)13(14)17-11(18)8-7-10-6-5-9-19-10/h5-9,12-13H,16H2,1-4H3,(H,17,18)
InChIKeyUMHAVCJGAMWPPE-UHFFFAOYSA-N
XLogP2.17
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide (CID 79711579) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide is CC1(C)C(N)C(C)(C)C1NC(=O)C=Cc1ccco1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is UMHAVCJGAMWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)12(16)15(3,4)13(14)17-11(18)8-7-10-6-5-9-19-10/h5-9,12-13H,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 262.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 79711579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).