N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide

C24H28N2O2 — CID 123972384

IUPACN-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccoc1)C1C2CCN(CC3CC3)C1Cc1ccccc12
InChIInChI=1S/C24H28N2O2/c1-25(23(27)9-8-18-11-13-28-16-18)24-21-10-12-26(15-17-6-7-17)22(24)14-19-4-2-3-5-20(19)21/h2-5,8-9,11,13,16-17,21-22,24H,6-7,10,12,14-15H2,1H3
InChIKeyZQKJBGUABUWMMQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.94
Rot. Bonds5

About N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide

N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide (PubChem CID 123972384) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
PubChem CID123972384
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccoc1)C1C2CCN(CC3CC3)C1Cc1ccccc12
InChIInChI=1S/C24H28N2O2/c1-25(23(27)9-8-18-11-13-28-16-18)24-21-10-12-26(15-17-6-7-17)22(24)14-19-4-2-3-5-20(19)21/h2-5,8-9,11,13,16-17,21-22,24H,6-7,10,12,14-15H2,1H3
InChIKeyZQKJBGUABUWMMQ-UHFFFAOYSA-N
XLogP3.94
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,13R)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 123459777
(E)-N-[(4S,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 59934018
(E)-N-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 71459556
(E)-N-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-11-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
CID 67802328
(E)-N-[(1R,9R,11S,14S,19S)-15-(cyclopropylmethyl)-4-hydroxy-15-azapentacyclo[9.6.2.01,9.02,7.09,14]nonadeca-2(7),3,5,12-tetraen-19-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
CID 122188793
(E)-N-[(1R,4R,9R,10S,13R)-17-(cyclopropylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 71461232
(E)-N-[(1R,9R,11R,14S,19S)-15-(cyclopropylmethyl)-4-hydroxy-15-azapentacyclo[9.6.2.01,9.02,7.09,14]nonadeca-2(7),3,5-trien-19-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 122188810
(E)-N-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 124671146
(Z)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-(trideuteriomethyl)prop-2-enamide
CID 169436790
(E)-N-[(4R,4aS,7R,7aR,12bR)-3-(cyclopropylmethyl)-1,1-difluoro-4a,9-dihydroxy-4,5,6,7,7a,13-hexahydro-2H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
CID 169210151
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-(trideuteriomethyl)prop-2-enamide;hydrochloride
CID 71750902
[(4aS,6R,8aR)-2-(cyclopropylmethyl)-6-[[(E)-3-(furan-3-yl)prop-2-enoyl]-methylamino]-4a-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-8a-yl] acetate
CID 70340714

Frequently Asked Questions

What is the IUPAC name of N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide?
The IUPAC name of N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide (CID 123972384) is N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide is CN(C(=O)C=Cc1ccoc1)C1C2CCN(CC3CC3)C1Cc1ccccc12.
What is the InChIKey of N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide?
The InChIKey is ZQKJBGUABUWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-25(23(27)9-8-18-11-13-28-16-18)24-21-10-12-26(15-17-6-7-17)22(24)14-19-4-2-3-5-20(19)21/h2-5,8-9,11,13,16-17,21-22,24H,6-7,10,12,14-15H2,1H3.
What are the key properties of N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide?
N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(cyclopropylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-(furan-3-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 123972384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).